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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
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1 – 15 of 1,289 results
1

5-Bromo-1-methyl-1H-indole, 97%, Thermo Scientific™

CAS: 10075-52-2 Molecular Formula: C9H8BrN Molecular Weight (g/mol): 210.07 MDL Number: MFCD00159857 InChI Key: SBOITLSQLQGSLO-UHFFFAOYSA-N PubChem CID: 285757 IUPAC Name: 5-bromo-1-methylindole SMILES: CN1C=CC2=CC(Br)=CC=C12

PubChem CID 285757
CAS 10075-52-2
Molecular Weight (g/mol) 210.07
MDL Number MFCD00159857
SMILES CN1C=CC2=CC(Br)=CC=C12
IUPAC Name 5-bromo-1-methylindole
InChI Key SBOITLSQLQGSLO-UHFFFAOYSA-N
Molecular Formula C9H8BrN
2

2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-ethanone, 97%, Thermo Scientific™

CAS: 19815-97-5 Molecular Formula: C10H9BrO3 Molecular Weight (g/mol): 257.08 MDL Number: MFCD04972617 InChI Key: BSROYFIAEPSLCT-UHFFFAOYSA-N Synonym: 2-bromo-1-2,3-dihydrobenzo b 1,4 dioxin-5-yl ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl-1-ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl ethanone,5-bromoacetyl-1,4-benzodioxane,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl ethan-1-one,5-bromoacetyl-2,3-dihydro-1,4-benzodioxine,2-bromanyl-1-2,3-dihydro-1,4-benzodioxin-5-yl ethanone,1-2h,3h-benzo 2,3-e 1,4-dioxin-5-yl-2-bromoethan-1-one,ethanone, 2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl PubChem CID: 2795035 IUPAC Name: 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone SMILES: BrCC(=O)C1=C2OCCOC2=CC=C1

PubChem CID 2795035
CAS 19815-97-5
Molecular Weight (g/mol) 257.08
MDL Number MFCD04972617
SMILES BrCC(=O)C1=C2OCCOC2=CC=C1
Synonym 2-bromo-1-2,3-dihydrobenzo b 1,4 dioxin-5-yl ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl-1-ethanone,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl ethanone,5-bromoacetyl-1,4-benzodioxane,2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl ethan-1-one,5-bromoacetyl-2,3-dihydro-1,4-benzodioxine,2-bromanyl-1-2,3-dihydro-1,4-benzodioxin-5-yl ethanone,1-2h,3h-benzo 2,3-e 1,4-dioxin-5-yl-2-bromoethan-1-one,ethanone, 2-bromo-1-2,3-dihydro-1,4-benzodioxin-5-yl
IUPAC Name 2-bromo-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
InChI Key BSROYFIAEPSLCT-UHFFFAOYSA-N
Molecular Formula C10H9BrO3
3

Ethyl isoquinoline-3-carboxylate, 97%, Thermo Scientific™

CAS: 50458-79-2 Molecular Formula: C12H11NO2 Molecular Weight (g/mol): 201.225 MDL Number: MFCD10566077 InChI Key: IFSCYCNNAIADLI-UHFFFAOYSA-N Synonym: ethyl 3-isoquinolinecarboxylate,ethylisoquinoline-3-carboxylate,ethyl isoquinolin-3-carboxylate,3-isoquinolinecarboxylic acid, ethyl ester,isoquinoline-3-carboxylic acid ethyl ester,3-carbethoxyisoquinoline,ksc493m9t,3-ethoxycarbonyl isoquinoline,3-isoquinolinecarboxylic acid ethyl ester PubChem CID: 11435602 IUPAC Name: ethyl isoquinoline-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2C=N1

PubChem CID 11435602
CAS 50458-79-2
Molecular Weight (g/mol) 201.225
MDL Number MFCD10566077
SMILES CCOC(=O)C1=CC2=CC=CC=C2C=N1
Synonym ethyl 3-isoquinolinecarboxylate,ethylisoquinoline-3-carboxylate,ethyl isoquinolin-3-carboxylate,3-isoquinolinecarboxylic acid, ethyl ester,isoquinoline-3-carboxylic acid ethyl ester,3-carbethoxyisoquinoline,ksc493m9t,3-ethoxycarbonyl isoquinoline,3-isoquinolinecarboxylic acid ethyl ester
IUPAC Name ethyl isoquinoline-3-carboxylate
InChI Key IFSCYCNNAIADLI-UHFFFAOYSA-N
Molecular Formula C12H11NO2
4

2-Methyl-1,3-thiazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 35272-15-2 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.16 MDL Number: MFCD03407332 InChI Key: ZHDRDZMTEOIWSX-UHFFFAOYSA-N Synonym: 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid PubChem CID: 284728 IUPAC Name: 2-methyl-1,3-thiazole-4-carboxylic acid SMILES: CC1=NC(=CS1)C(=O)O

PubChem CID 284728
CAS 35272-15-2
Molecular Weight (g/mol) 143.16
MDL Number MFCD03407332
SMILES CC1=NC(=CS1)C(=O)O
Synonym 2-methylthiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylic acid,4-thiazolecarboxylic acid, 2-methyl,2-methyl-thiazole-4-carboxylic acid,2-methyl-4-thiazolecarboxylicacid,2-methyl-thiazole4-carboxylic acid,4-thiazolecarboxylicacid, 2-methyl,2-methyl-1,3-thiazole-4-carboxylicacid
IUPAC Name 2-methyl-1,3-thiazole-4-carboxylic acid
InChI Key ZHDRDZMTEOIWSX-UHFFFAOYSA-N
Molecular Formula C5H5NO2S
5

1-Benzyl-3-piperidinol, 97%, Thermo Scientific™

CAS: 105973-51-1 Molecular Formula: C12H18ClNO Molecular Weight (g/mol): 227.732 MDL Number: MFCD00044200 InChI Key: PHJDPNCYJSWYGY-UHFFFAOYSA-N Synonym: 1-benzyl-3-piperidinol hydrochloride,1-benzylpiperidin-3-ol hydrochloride,1-benzyl-3-piperidinol hcl,1-benzyl-3-piperidinolhydrochloride,1-benzyl-3-hydroxypiperidine hydrochloride,acmc-1ca0o,1-benzylpiperidin-3-ol, chloride,1-benzyl3-hydroxypiperidine hydrochloride,1-phenylmethyl-3-piperidinol hydrochloride,1-phenylmethyl piperidin-3-ol hydrochloride PubChem CID: 16218306 IUPAC Name: 1-benzylpiperidin-3-ol;hydrochloride SMILES: C1CC(CN(C1)CC2=CC=CC=C2)O.Cl

PubChem CID 16218306
CAS 105973-51-1
Molecular Weight (g/mol) 227.732
MDL Number MFCD00044200
SMILES C1CC(CN(C1)CC2=CC=CC=C2)O.Cl
Synonym 1-benzyl-3-piperidinol hydrochloride,1-benzylpiperidin-3-ol hydrochloride,1-benzyl-3-piperidinol hcl,1-benzyl-3-piperidinolhydrochloride,1-benzyl-3-hydroxypiperidine hydrochloride,acmc-1ca0o,1-benzylpiperidin-3-ol, chloride,1-benzyl3-hydroxypiperidine hydrochloride,1-phenylmethyl-3-piperidinol hydrochloride,1-phenylmethyl piperidin-3-ol hydrochloride
IUPAC Name 1-benzylpiperidin-3-ol;hydrochloride
InChI Key PHJDPNCYJSWYGY-UHFFFAOYSA-N
Molecular Formula C12H18ClNO
6

2-(2-Thienyl)ethyl isocyanate, 95+%, Thermo Scientific™

CAS: 58749-51-2 Molecular Formula: C7H7NOS Molecular Weight (g/mol): 153.199 InChI Key: KAJZMNLREUEZSH-UHFFFAOYSA-N PubChem CID: 2782179 IUPAC Name: 2-(2-isocyanatoethyl)thiophene SMILES: C1=CSC(=C1)CCN=C=O

PubChem CID 2782179
CAS 58749-51-2
Molecular Weight (g/mol) 153.199
SMILES C1=CSC(=C1)CCN=C=O
IUPAC Name 2-(2-isocyanatoethyl)thiophene
InChI Key KAJZMNLREUEZSH-UHFFFAOYSA-N
Molecular Formula C7H7NOS
7

Quinoline-6-carboxylic acid, 97%, Thermo Scientific™

CAS: 10349-57-2 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 MDL Number: MFCD00047613 InChI Key: VXGYRCVTBHVXMZ-UHFFFAOYSA-N Synonym: 6-quinolinecarboxylic acid,pubchem7578,quinoline-6-carboylic acid,quinolin-6-carboxylic acid,6-quinoline carboxylic acid,6-quinoline-carboxylic acid,ksc177e5h,vxgyrcvtbhvxmz-uhfffaoysa,2-3-cyclopentyl-2-oxo-2,3-dihydro-1h-imidazo 4,5-b pyridin-1-yl-n-2,3-dihydro-1,4-benzodioxin-6-yl acetamide PubChem CID: 82571 IUPAC Name: quinoline-6-carboxylic acid SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)N=C1

PubChem CID 82571
CAS 10349-57-2
Molecular Weight (g/mol) 173.171
MDL Number MFCD00047613
SMILES C1=CC2=C(C=CC(=C2)C(=O)O)N=C1
Synonym 6-quinolinecarboxylic acid,pubchem7578,quinoline-6-carboylic acid,quinolin-6-carboxylic acid,6-quinoline carboxylic acid,6-quinoline-carboxylic acid,ksc177e5h,vxgyrcvtbhvxmz-uhfffaoysa,2-3-cyclopentyl-2-oxo-2,3-dihydro-1h-imidazo 4,5-b pyridin-1-yl-n-2,3-dihydro-1,4-benzodioxin-6-yl acetamide
IUPAC Name quinoline-6-carboxylic acid
InChI Key VXGYRCVTBHVXMZ-UHFFFAOYSA-N
Molecular Formula C10H7NO2
8

ethyle2-amino-4-methylpyrimidine-5-carboxylate, 97%, Thermo Scientific™

CAS: 81633-29-6 Molecular Formula: C8H11N3O2 Molecular Weight (g/mol): 181.20 MDL Number: MFCD00052622 InChI Key: YBFVMJRSZCVJJP-UHFFFAOYSA-N Synonym: 2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester,2-amino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester,acmc-209plx,maybridge1_003176,ethyl2-amino-4-methylpyrimidine-5-carboxylate,2-amino-5-ethoxycarbonyl-4-methylpyrimidine,ethyl 2-amino-4-methyl-pyrimidine-5-carboxylate,ethyl 2-amino-4-methylpyrimidine-5-carboxylate,2-amino-4-methyl-5-pyrimidinecarboxylic acid, ethyl ester,5-pyrimidinecarboxylicacid, 2-amino-4-methyl-, ethyl ester PubChem CID: 459813 IUPAC Name: ethyl 2-amino-4-methylpyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N)N=C1C

PubChem CID 459813
CAS 81633-29-6
Molecular Weight (g/mol) 181.20
MDL Number MFCD00052622
SMILES CCOC(=O)C1=CN=C(N)N=C1C
Synonym 2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester,2-amino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester,acmc-209plx,maybridge1_003176,ethyl2-amino-4-methylpyrimidine-5-carboxylate,2-amino-5-ethoxycarbonyl-4-methylpyrimidine,ethyl 2-amino-4-methyl-pyrimidine-5-carboxylate,ethyl 2-amino-4-methylpyrimidine-5-carboxylate,2-amino-4-methyl-5-pyrimidinecarboxylic acid, ethyl ester,5-pyrimidinecarboxylicacid, 2-amino-4-methyl-, ethyl ester
IUPAC Name ethyl 2-amino-4-methylpyrimidine-5-carboxylate
InChI Key YBFVMJRSZCVJJP-UHFFFAOYSA-N
Molecular Formula C8H11N3O2
10

3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole, 97%, Thermo Scientific™

CAS: 1201-68-9 Molecular Formula: C9H7ClN2O Molecular Weight (g/mol): 194.618 MDL Number: MFCD00084968 InChI Key: VEIXFEJMHJPUBS-UHFFFAOYSA-N PubChem CID: 302154 IUPAC Name: 3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole SMILES: C1=CC=C(C=C1)C2=NC(=NO2)CCl

PubChem CID 302154
CAS 1201-68-9
Molecular Weight (g/mol) 194.618
MDL Number MFCD00084968
SMILES C1=CC=C(C=C1)C2=NC(=NO2)CCl
IUPAC Name 3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole
InChI Key VEIXFEJMHJPUBS-UHFFFAOYSA-N
Molecular Formula C9H7ClN2O
12

(2-Butyl-5-chloro-1H-imidazol-4-yl)methanol, 97%, Thermo Scientific™

CAS: 79047-41-9 Molecular Formula: C8H13ClN2O Molecular Weight (g/mol): 188.655 MDL Number: MFCD01934397 InChI Key: DXSZKDOOHOBZMT-UHFFFAOYSA-N Synonym: 2-butyl-4-chloro-1h-imidazol-5-yl methanol,2-butyl-5-chloro-1h-imidazol-4-yl methanol,2-butyl-5-chloroimidazole-4-methanol,2-butyl-4-chloro-5-hydroxymethyl imidazole,2-butyl-4-chloro-1h-imidazole-5-methanol,2-butyl-5-chloro-1h-imidazol-4-yl-methanol,2-butyl-5-chloro-3h-imidazol-4-yl methanol,2-butyl-4-chloro-5-hydroxyimidazole,losartan impurity 1,acmc-1bk6v PubChem CID: 2735662 IUPAC Name: (2-butyl-4-chloro-1H-imidazol-5-yl)methanol SMILES: CCCCC1=NC(=C(N1)CO)Cl

PubChem CID 2735662
CAS 79047-41-9
Molecular Weight (g/mol) 188.655
MDL Number MFCD01934397
SMILES CCCCC1=NC(=C(N1)CO)Cl
Synonym 2-butyl-4-chloro-1h-imidazol-5-yl methanol,2-butyl-5-chloro-1h-imidazol-4-yl methanol,2-butyl-5-chloroimidazole-4-methanol,2-butyl-4-chloro-5-hydroxymethyl imidazole,2-butyl-4-chloro-1h-imidazole-5-methanol,2-butyl-5-chloro-1h-imidazol-4-yl-methanol,2-butyl-5-chloro-3h-imidazol-4-yl methanol,2-butyl-4-chloro-5-hydroxyimidazole,losartan impurity 1,acmc-1bk6v
IUPAC Name (2-butyl-4-chloro-1H-imidazol-5-yl)methanol
InChI Key DXSZKDOOHOBZMT-UHFFFAOYSA-N
Molecular Formula C8H13ClN2O
13

(3-Pyrrolidin-1-ylphenyl)methanol, 97%, Thermo Scientific™

CAS: 859850-72-9 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD07772826 InChI Key: MYIYSGIMXUQECR-UHFFFAOYSA-N Synonym: 3-pyrrolidin-1-ylphenyl methanol,3-pyrrolidin-1-yl phenyl methanol,3-1-pyrrolidinyl benzyl alcohol,3-pyrrolidinylphenyl methan-1-ol,benzenemethanol,3-1-pyrrolidinyl PubChem CID: 7162062 IUPAC Name: (3-pyrrolidin-1-ylphenyl)methanol SMILES: C1CCN(C1)C2=CC=CC(=C2)CO

PubChem CID 7162062
CAS 859850-72-9
Molecular Weight (g/mol) 177.247
MDL Number MFCD07772826
SMILES C1CCN(C1)C2=CC=CC(=C2)CO
Synonym 3-pyrrolidin-1-ylphenyl methanol,3-pyrrolidin-1-yl phenyl methanol,3-1-pyrrolidinyl benzyl alcohol,3-pyrrolidinylphenyl methan-1-ol,benzenemethanol,3-1-pyrrolidinyl
IUPAC Name (3-pyrrolidin-1-ylphenyl)methanol
InChI Key MYIYSGIMXUQECR-UHFFFAOYSA-N
Molecular Formula C11H15NO
14

1-Benzothiophene-3-carboxylic acid, 97%, Thermo Scientific™

CAS: 5381-25-9 Molecular Formula: C9H6O2S Molecular Weight (g/mol): 178.205 MDL Number: MFCD01846406 InChI Key: DRBLTQNCQJXSNU-UHFFFAOYSA-N Synonym: benzo b thiophene-3-carboxylic acid,benzothiophene-3-carboxylic acid,benzothiophene-3-carboxylicacid,pubchem13463,acmc-20a10z,ksc178m8d,1-benzo b thiophene-3-carboxylic acid,#,thianaphthene-3-carboxylic acid PubChem CID: 601280 IUPAC Name: 1-benzothiophene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CS2)C(=O)O

PubChem CID 601280
CAS 5381-25-9
Molecular Weight (g/mol) 178.205
MDL Number MFCD01846406
SMILES C1=CC=C2C(=C1)C(=CS2)C(=O)O
Synonym benzo b thiophene-3-carboxylic acid,benzothiophene-3-carboxylic acid,benzothiophene-3-carboxylicacid,pubchem13463,acmc-20a10z,ksc178m8d,1-benzo b thiophene-3-carboxylic acid,#,thianaphthene-3-carboxylic acid
IUPAC Name 1-benzothiophene-3-carboxylic acid
InChI Key DRBLTQNCQJXSNU-UHFFFAOYSA-N
Molecular Formula C9H6O2S
15

N,2-Dimethyl-(1,3-thiazol-4-yl)methylamine, 97%, Thermo Scientific™

CAS: 144163-81-5 Molecular Formula: C6H10N2S Molecular Weight (g/mol): 142.22 MDL Number: MFCD06738964 InChI Key: GJHOBSIOQKGKSG-UHFFFAOYSA-N Synonym: methyl-2-methyl-thiazol-4-ylmethyl-amine,methyl-2-methylthiazole-4-yl methyl amine,n-methyl-1-2-methylthiazol-4-yl methanamine,methyl 2-methyl-1,3-thiazol-4-yl methyl amine,4-thiazolemethanamine,n,2-dimethyl,n-methyl 2-methylthiazol-4-yl methanamine,4-thiazolemethanamine, n,2-dimethyl,n-methyl-1-2-methyl-1,3-thiazol-4-yl methanamine,n,2-dimethyl-1,3-thiazol-4-yl methylamine,2-methyl-4-methyl aminomethyl-1,3-thiazole PubChem CID: 18939489 IUPAC Name: N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine SMILES: CC1=NC(=CS1)CNC

PubChem CID 18939489
CAS 144163-81-5
Molecular Weight (g/mol) 142.22
MDL Number MFCD06738964
SMILES CC1=NC(=CS1)CNC
Synonym methyl-2-methyl-thiazol-4-ylmethyl-amine,methyl-2-methylthiazole-4-yl methyl amine,n-methyl-1-2-methylthiazol-4-yl methanamine,methyl 2-methyl-1,3-thiazol-4-yl methyl amine,4-thiazolemethanamine,n,2-dimethyl,n-methyl 2-methylthiazol-4-yl methanamine,4-thiazolemethanamine, n,2-dimethyl,n-methyl-1-2-methyl-1,3-thiazol-4-yl methanamine,n,2-dimethyl-1,3-thiazol-4-yl methylamine,2-methyl-4-methyl aminomethyl-1,3-thiazole
IUPAC Name N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
InChI Key GJHOBSIOQKGKSG-UHFFFAOYSA-N
Molecular Formula C6H10N2S