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

C15H16FNO2S — CID 62071691

IUPAC2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H16FNO2S/c1-10-14(20-9-17-10)6-5-12(15(18)19)7-11-3-2-4-13(16)8-11/h2-4,8-9,12H,5-7H2,1H3,(H,18,19)
InChIKeyVDRNDXYRLCHSLG-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.47
Rot. Bonds6

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

2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (PubChem CID 62071691) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
PubChem CID62071691
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid
SMILESCc1ncsc1CCC(Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H16FNO2S/c1-10-14(20-9-17-10)6-5-12(15(18)19)7-11-3-2-4-13(16)8-11/h2-4,8-9,12H,5-7H2,1H3,(H,18,19)
InChIKeyVDRNDXYRLCHSLG-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methyl]-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-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid (CID 62071691) is 2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is Cc1ncsc1CCC(Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
The InChIKey is VDRNDXYRLCHSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-14(20-9-17-10)6-5-12(15(18)19)7-11-3-2-4-13(16)8-11/h2-4,8-9,12H,5-7H2,1H3,(H,18,19).
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid?
2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butanoic acid is sourced from PubChem (CID 62071691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).