N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide

C17H16ClN3OS — CID 53037033

IUPACN-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1csc(-c2ccc(C)n2C)n1
InChIInChI=1S/C17H16ClN3OS/c1-10-4-6-12(18)8-13(10)19-16(22)14-9-23-17(20-14)15-7-5-11(2)21(15)3/h4-9H,1-3H3,(H,19,22)
InChIKeyLXEBVLJKANANED-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.67
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53037033) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID53037033
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1csc(-c2ccc(C)n2C)n1
InChIInChI=1S/C17H16ClN3OS/c1-10-4-6-12(18)8-13(10)19-16(22)14-9-23-17(20-14)15-7-5-11(2)21(15)3/h4-9H,1-3H3,(H,19,22)
InChIKeyLXEBVLJKANANED-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-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

N-(4-acetamidophenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide
CID 53125123
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-(1,5-dimethylpyrrol-2-yl)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 53037027
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110650067
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66373820
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554668
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52655029
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide (CID 53037033) is N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1csc(-c2ccc(C)n2C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LXEBVLJKANANED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-10-4-6-12(18)8-13(10)19-16(22)14-9-23-17(20-14)15-7-5-11(2)21(15)3/h4-9H,1-3H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 345.86 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(1,5-dimethylpyrrol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53037033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).