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

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).