2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid

C18H16FNO3S — CID 130385715

IUPAC2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3S/c1-11-8-12(9-17(22)23)2-7-15(11)20-16(21)10-24-18(20)13-3-5-14(19)6-4-13/h2-8,18H,9-10H2,1H3,(H,22,23)
InChIKeyDCVLDXNWZPBMFH-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.54
Rot. Bonds4

About 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid

2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid (PubChem CID 130385715) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid
PubChem CID130385715
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1N1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C18H16FNO3S/c1-11-8-12(9-17(22)23)2-7-15(11)20-16(21)10-24-18(20)13-3-5-14(19)6-4-13/h2-8,18H,9-10H2,1H3,(H,22,23)
InChIKeyDCVLDXNWZPBMFH-UHFFFAOYSA-N
XLogP3.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]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-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid (CID 130385715) is 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid is Cc1cc(CC(=O)O)ccc1N1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid?
The InChIKey is DCVLDXNWZPBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c1-11-8-12(9-17(22)23)2-7-15(11)20-16(21)10-24-18(20)13-3-5-14(19)6-4-13/h2-8,18H,9-10H2,1H3,(H,22,23).
What are the key properties of 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid?
2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid has a molecular weight of 345.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylphenyl]acetic acid is sourced from PubChem (CID 130385715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).