2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid

C17H12N2O3S — CID 739384

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H12N2O3S/c20-15(12-8-4-5-9-13(12)16(21)22)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H,18,19,20)
InChIKeyBWMSCBOAFRUBGF-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.76
Rot. Bonds4

About 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid

2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (PubChem CID 739384) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
PubChem CID739384
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H12N2O3S/c20-15(12-8-4-5-9-13(12)16(21)22)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H,18,19,20)
InChIKeyBWMSCBOAFRUBGF-UHFFFAOYSA-N
XLogP3.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic 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-(2-Amino-1,3-thiazol-4-yl)benzoic acid
CID 613179
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
3-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-benzofuran-1(3H)-one
CID 6710578
2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic Acid
CID 1987843
2-hydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 747501
4-[(4-Phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
CID 3693619
N-(4-Methyl-thiazol-2-yl)-phthalamic acid
CID 653107
3-((2'-Acetamido-4'-methyl-[4,5'-bithiazol]-2-yl)amino)benzoic acid
CID 3128427
(e)-2-((2-(4-Phenylthiazol-2-yl)hydrazono)methyl)benzoic acid
CID 39168487
3-[2-(2-Methylanilino)-1,3-thiazol-4-yl]benzoic acid
CID 147535030
NF-|E| cent activator 1
CID 151901137

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid (CID 739384) is 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
The InChIKey is BWMSCBOAFRUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c20-15(12-8-4-5-9-13(12)16(21)22)19-17-18-14(10-23-17)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid?
2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid has a molecular weight of 324.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 739384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).