2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C17H14F3NOS2 — CID 4194074

IUPAC2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3NOS2/c1-23-14-7-5-11(6-8-14)16-21(15(22)10-24-16)13-4-2-3-12(9-13)17(18,19)20/h2-9,16H,10H2,1H3
InChIKeyJAJJCUHQZFTFTL-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.21
Rot. Bonds3

About 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 4194074) has the molecular formula C17H14F3NOS2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID4194074
Molecular FormulaC17H14F3NOS2
Molecular Weight369.43 g/mol
Exact Mass369.05
IUPAC Name2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3NOS2/c1-23-14-7-5-11(6-8-14)16-21(15(22)10-24-16)13-4-2-3-12(9-13)17(18,19)20/h2-9,16H,10H2,1H3
InChIKeyJAJJCUHQZFTFTL-UHFFFAOYSA-N
XLogP5.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one 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-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 4194074) is 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is JAJJCUHQZFTFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NOS2/c1-23-14-7-5-11(6-8-14)16-21(15(22)10-24-16)13-4-2-3-12(9-13)17(18,19)20/h2-9,16H,10H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 369.43 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4194074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).