3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid

C13H12FNO2S — CID 82026644

IUPAC3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1csc(C(CC(=O)O)c2ccccc2F)n1
InChIInChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)10(6-12(16)17)9-4-2-3-5-11(9)14/h2-5,7,10H,6H2,1H3,(H,16,17)
InChIKeyFLDOYJOKHPLERV-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.20
Rot. Bonds4

About 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid

3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 82026644) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID82026644
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1csc(C(CC(=O)O)c2ccccc2F)n1
InChIInChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)10(6-12(16)17)9-4-2-3-5-11(9)14/h2-5,7,10H,6H2,1H3,(H,16,17)
InChIKeyFLDOYJOKHPLERV-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic 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

3-(furan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
CID 82026638
(4-methyl-1,3-thiazol-2-yl)-phenylmethanol
CID 55201426
2-[(2-fluorophenyl)-hydroxymethyl]-1,3-thiazole-4-carboxylic acid
CID 83394159
2-(2-fluorophenyl)butanedioic acid
CID 50990542
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
N-[2-hydroxy-1-(2-methylphenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 154832744
2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81377841
2-[dimethylamino-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 84750221
3-(2-fluorophenyl)-3-pyrimidin-4-ylpropanoic acid
CID 116833998
3-(2-fluorophenyl)-3-(6-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 42879894
(1R)-1-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81379728
3-(2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 83977372

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid (CID 82026644) is 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1csc(C(CC(=O)O)c2ccccc2F)n1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is FLDOYJOKHPLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c1-8-7-18-13(15-8)10(6-12(16)17)9-4-2-3-5-11(9)14/h2-5,7,10H,6H2,1H3,(H,16,17).
What are the key properties of 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid?
3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 82026644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).