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

C16H10ClNO2S — CID 63529998

IUPAC4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C16H10ClNO2S/c17-13-3-1-2-12(8-13)15-18-14(9-21-15)10-4-6-11(7-5-10)16(19)20/h1-9H,(H,19,20)
InChIKeyWPALBKHCLGYXPI-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.83
Rot. Bonds3

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

4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid (PubChem CID 63529998) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
PubChem CID63529998
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C16H10ClNO2S/c17-13-3-1-2-12(8-13)15-18-14(9-21-15)10-4-6-11(7-5-10)16(19)20/h1-9H,(H,19,20)
InChIKeyWPALBKHCLGYXPI-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 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]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-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 112723241
4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1473794
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483674
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
3-[4-[4-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 118075231
2-chloro-4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 118577090
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71457823
4-[2-(8-chloro-4,4-dimethyl-1H-quinazolin-2-yl)-1,3-thiazol-4-yl]benzoic acid
CID 163204297

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid?
The IUPAC name of 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid (CID 63529998) is 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid?
The canonical SMILES for 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid is O=C(O)c1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid?
The InChIKey is WPALBKHCLGYXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-13-3-1-2-12(8-13)15-18-14(9-21-15)10-4-6-11(7-5-10)16(19)20/h1-9H,(H,19,20).
What are the key properties of 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid?
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic 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 4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid is sourced from PubChem (CID 63529998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).