3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid

C20H17FN2O3S — CID 71239842

IUPAC3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C20H17FN2O3S/c1-12-6-2-3-7-13(12)16(10-18(24)25)22-19(26)17-11-27-20(23-17)14-8-4-5-9-15(14)21/h2-9,11,16H,10H2,1H3,(H,22,26)(H,24,25)
InChIKeyXOWZURCVNLGQAK-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.20
Rot. Bonds6

About 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid

3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid (PubChem CID 71239842) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
PubChem CID71239842
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)NC(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C20H17FN2O3S/c1-12-6-2-3-7-13(12)16(10-18(24)25)22-19(26)17-11-27-20(23-17)14-8-4-5-9-15(14)21/h2-9,11,16H,10H2,1H3,(H,22,26)(H,24,25)
InChIKeyXOWZURCVNLGQAK-UHFFFAOYSA-N
XLogP4.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid (CID 71239842) is 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid is Cc1ccccc1C(CC(=O)O)NC(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
The InChIKey is XOWZURCVNLGQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-12-6-2-3-7-13(12)16(10-18(24)25)22-19(26)17-11-27-20(23-17)14-8-4-5-9-15(14)21/h2-9,11,16H,10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid?
3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid has a molecular weight of 384.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 71239842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).