2-(2-phenyl-1,3-thiazol-4-yl)acetic acid

C11H9NO2S — CID 701757

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKeyLYHDWKGJPJRCTG-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.44
Rot. Bonds3

About 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid

2-(2-phenyl-1,3-thiazol-4-yl)acetic acid (PubChem CID 701757) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)acetic acid
PubChem CID701757
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKeyLYHDWKGJPJRCTG-UHFFFAOYSA-N
XLogP2.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-phenyl-1,3-thiazol-4-yl)acetic 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

Fenclozic Acid
CID 28858
2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-Phenyl-4-carboxythiazole
CID 138928
2-(2-(3-Fluorophenyl)-1,3-thiazol-4-yl)acetic acid
CID 2577541
2-(4-Fluorophenyl)-4-thiazoleacetic acid
CID 2577547
5-Thiazoleacetic acid, 2-methyl-4-phenyl-
CID 214800
2-(4-Phenyl-1,3-thiazol-2-yl)acetamide
CID 712446
4-Phenylthiazole-2-carboxylic acid
CID 3878539
2-(2-(2-Chlorophenyl)-1,3-thiazol-4-yl)acetic acid
CID 4962559
2-(2-Benzyl-1,3-thiazol-4-yl)acetic acid
CID 24278472
5-Thiazoleacetic acid, 4-methyl-2-phenyl-
CID 214801
2-{2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl}acetic acid
CID 16227879

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid (CID 701757) is 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid is O=C(O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is LYHDWKGJPJRCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid?
2-(2-phenyl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 219.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 701757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).