4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid

C17H11ClN2O3S — CID 10126129

IUPAC4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(Nc1nc(-c2ccccc2)sc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClN2O3S/c18-12-8-6-10(7-9-12)15(21)19-14-13(17(22)23)24-16(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,21)(H,22,23)
InChIKeyULMBEMZRULRHCA-UHFFFAOYSA-N
MW358.81 g/mol
LogP4.41
Rot. Bonds4

About 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid

4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 10126129) has the molecular formula C17H11ClN2O3S and a molecular weight of 358.81 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID10126129
Molecular FormulaC17H11ClN2O3S
Molecular Weight358.81 g/mol
Exact Mass358.02
IUPAC Name4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(Nc1nc(-c2ccccc2)sc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C17H11ClN2O3S/c18-12-8-6-10(7-9-12)15(21)19-14-13(17(22)23)24-16(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,21)(H,22,23)
InChIKeyULMBEMZRULRHCA-UHFFFAOYSA-N
XLogP4.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid 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

4-[(4-chlorobenzoyl)-methylamino]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 10150386
N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-[7-(4-chloroanilino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]phenyl]benzamide
CID 141247329
4-chloro-N-[5-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100645181
[2-(4-chlorophenyl)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724399
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid (CID 10126129) is 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid is O=C(Nc1nc(-c2ccccc2)sc1C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ULMBEMZRULRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3S/c18-12-8-6-10(7-9-12)15(21)19-14-13(17(22)23)24-16(20-14)11-4-2-1-3-5-11/h1-9H,(H,19,21)(H,22,23).
What are the key properties of 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid?
4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 358.81 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-2-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 10126129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).