2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid

C13H12FNO2S — CID 174625022

IUPAC2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(CC(=O)O)c(-c2ccc(C)c(F)c2)s1
InChIInChI=1S/C13H12FNO2S/c1-7-3-4-9(5-10(7)14)13-11(6-12(16)17)15-8(2)18-13/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyPGEHVGMDPLWDFL-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.19
Rot. Bonds3

About 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid

2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid (PubChem CID 174625022) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid
PubChem CID174625022
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(CC(=O)O)c(-c2ccc(C)c(F)c2)s1
InChIInChI=1S/C13H12FNO2S/c1-7-3-4-9(5-10(7)14)13-11(6-12(16)17)15-8(2)18-13/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyPGEHVGMDPLWDFL-UHFFFAOYSA-N
XLogP3.19
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid (CID 174625022) is 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid is Cc1nc(CC(=O)O)c(-c2ccc(C)c(F)c2)s1.
What is the InChIKey of 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PGEHVGMDPLWDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-7-3-4-9(5-10(7)14)13-11(6-12(16)17)15-8(2)18-13/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid?
2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-4-methylphenyl)-2-methyl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 174625022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).