2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide

C17H18ClN3O2S — CID 154864711

IUPAC2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1CCNC(=O)CC1
InChIInChI=1S/C17H18ClN3O2S/c1-10-15(16(23)21-13-5-6-14(22)19-8-7-13)24-17(20-10)11-3-2-4-12(18)9-11/h2-4,9,13H,5-8H2,1H3,(H,19,22)(H,21,23)
InChIKeyNFXBKEOAPASRKZ-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.17
Rot. Bonds3

About 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 154864711) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID154864711
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1CCNC(=O)CC1
InChIInChI=1S/C17H18ClN3O2S/c1-10-15(16(23)21-13-5-6-14(22)19-8-7-13)24-17(20-10)11-3-2-4-12(18)9-11/h2-4,9,13H,5-8H2,1H3,(H,19,22)(H,21,23)
InChIKeyNFXBKEOAPASRKZ-UHFFFAOYSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9193279
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24673326
2-(3-chlorophenyl)-N-(3-cyanophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192536
2-(3-chlorophenyl)-N-(2,6-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599394
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
2-(3-chlorophenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609828
2-(3-chlorophenyl)-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1,3-thiazole-5-carboxamide
CID 51205742
2-(3,4-dimethoxyphenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119452667
4-methyl-2-pyridin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58236116
2-(3-chlorophenyl)-4-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 24646825
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide (CID 154864711) is 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC1CCNC(=O)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NFXBKEOAPASRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-10-15(16(23)21-13-5-6-14(22)19-8-7-13)24-17(20-10)11-3-2-4-12(18)9-11/h2-4,9,13H,5-8H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154864711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).