2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid

C14H14FNO2S — CID 79434603

IUPAC2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-9-13(19-8-16-9)7-6-12(14(17)18)10-2-4-11(15)5-3-10/h2-5,8,12H,6-7H2,1H3,(H,17,18)
InChIKeyJRBFDRFMIBPYJV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid

2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (PubChem CID 79434603) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
PubChem CID79434603
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-9-13(19-8-16-9)7-6-12(14(17)18)10-2-4-11(15)5-3-10/h2-5,8,12H,6-7H2,1H3,(H,17,18)
InChIKeyJRBFDRFMIBPYJV-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic 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-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The IUPAC name of 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (CID 79434603) is 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The canonical SMILES for 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is Cc1ncsc1CCC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The InChIKey is JRBFDRFMIBPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-9-13(19-8-16-9)7-6-12(14(17)18)10-2-4-11(15)5-3-10/h2-5,8,12H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid has a molecular weight of 279.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is sourced from PubChem (CID 79434603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).