3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

C19H18FNO3S — CID 22256717

IUPAC3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C(=O)N1CSCC1C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C19H18FNO3S/c1-12(18(22)21-11-25-10-17(21)19(23)24)14-7-8-15(16(20)9-14)13-5-3-2-4-6-13/h2-9,12,17H,10-11H2,1H3,(H,23,24)
InChIKeyZUCGHEHIUPYXRV-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.58
Rot. Bonds4

About 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 22256717) has the molecular formula C19H18FNO3S and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID22256717
Molecular FormulaC19H18FNO3S
Molecular Weight359.42 g/mol
Exact Mass359.10
IUPAC Name3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C(=O)N1CSCC1C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C19H18FNO3S/c1-12(18(22)21-11-25-10-17(21)19(23)24)14-7-8-15(16(20)9-14)13-5-3-2-4-6-13/h2-9,12,17H,10-11H2,1H3,(H,23,24)
InChIKeyZUCGHEHIUPYXRV-UHFFFAOYSA-N
XLogP3.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic 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-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 22256717) is 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is CC(C(=O)N1CSCC1C(=O)O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZUCGHEHIUPYXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S/c1-12(18(22)21-11-25-10-17(21)19(23)24)14-7-8-15(16(20)9-14)13-5-3-2-4-6-13/h2-9,12,17H,10-11H2,1H3,(H,23,24).
What are the key properties of 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 359.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-4-phenylphenyl)propanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 22256717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).