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

C11H8ClNO2S — CID 1486890

IUPAC2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccccc2Cl)sc1C(=O)O
InChIInChI=1S/C11H8ClNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKeyXLBHXZVHSAASRX-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.47
Rot. Bonds2

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

2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 1486890) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID1486890
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccccc2Cl)sc1C(=O)O
InChIInChI=1S/C11H8ClNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChIKeyXLBHXZVHSAASRX-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)-4-methyl-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

Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
1-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)ethan-1-one
CID 2728459
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
1-[2-(3-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 3814431
Methyl 4-(dibromomethyl)-2-(4-chlorophenyl)thiazole-5-carboxylate
CID 24951029
4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid
CID 2775663
2-(2-(2-Chlorophenyl)-1,3-thiazol-4-yl)acetic acid
CID 4962559
2-(2-Fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980371
5-Methyl-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 13835304
4-Methyl-2-(3-(trifluoromethyl)phenyl)-1,3-thiazole-5-carboxylic acid
CID 1483671

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 1486890) is 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccccc2Cl)sc1C(=O)O.
What is the InChIKey of 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is XLBHXZVHSAASRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c1-6-9(11(14)15)16-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15).
What are the key properties of 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 253.71 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 1486890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).