2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid

C16H10ClNO2S — CID 64715180

IUPAC2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2Cl)sc1-c1ccccc1
InChIInChI=1S/C16H10ClNO2S/c17-12-9-5-4-8-11(12)15-18-13(16(19)20)14(21-15)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKeyFCPQNFACUMJUEP-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.83
Rot. Bonds3

About 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid

2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 64715180) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID64715180
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2Cl)sc1-c1ccccc1
InChIInChI=1S/C16H10ClNO2S/c17-12-9-5-4-8-11(12)15-18-13(16(19)20)14(21-15)10-6-2-1-3-7-10/h1-9H,(H,19,20)
InChIKeyFCPQNFACUMJUEP-UHFFFAOYSA-N
XLogP4.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-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

2-(5-chlorothiophen-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 64715806
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 79570865
sodium;hydride;2-(2-hydroxy-5-methylphenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 173422820
2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970678
5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine
CID 22437415
2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 59291531
2-(2-chlorophenyl)-5-(2-methylsulfonylphenyl)-4-phenyl-1,3-thiazole
CID 22911779
2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 66865715
5-acetyl-2-(3-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106696128
2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 70373613
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 64715180) is 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2Cl)sc1-c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FCPQNFACUMJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-12-9-5-4-8-11(12)15-18-13(16(19)20)14(21-15)10-6-2-1-3-7-10/h1-9H,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 315.78 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64715180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).