4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid

C11H7NO4S — CID 18548742

IUPAC4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2csc(C(=O)O)n2)c1
InChIInChI=1S/C11H7NO4S/c13-10(14)7-3-1-2-6(4-7)8-5-17-9(12-8)11(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKeyWTQSLQOYCIQTHT-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.21
Rot. Bonds3

About 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid

4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 18548742) has the molecular formula C11H7NO4S and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
PubChem CID18548742
Molecular FormulaC11H7NO4S
Molecular Weight249.25 g/mol
Exact Mass249.01
IUPAC Name4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2csc(C(=O)O)n2)c1
InChIInChI=1S/C11H7NO4S/c13-10(14)7-3-1-2-6(4-7)8-5-17-9(12-8)11(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKeyWTQSLQOYCIQTHT-UHFFFAOYSA-N
XLogP2.21
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-carboxyphenyl)-1,3-thiazole-2-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

4-(4-phenylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79567342
3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260
3-(2-propan-2-yl-1,3-thiazol-4-yl)benzoic acid
CID 55165398
3-[2-(azepan-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 79156493
3-[2-(3-methyl-2-pyridinyl)-1,3-thiazol-4-yl]benzoic acid
CID 63152488
3-(2-cycloheptyl-1,3-thiazol-4-yl)benzoic acid
CID 65399902
3-[4-[4-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 118075231
3-[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 116732299
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71457823
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]benzoic acid
CID 63540780

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid (CID 18548742) is 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1cccc(-c2csc(C(=O)O)n2)c1.
What is the InChIKey of 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is WTQSLQOYCIQTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4S/c13-10(14)7-3-1-2-6(4-7)8-5-17-9(12-8)11(15)16/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid?
4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 18548742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).