3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one

C17H17NO3S3 — CID 134130309

IUPAC3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(N2C(=O)CSC2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H17NO3S3/c1-22-14-7-5-13(6-8-14)18-16(19)11-23-17(18)12-3-9-15(10-4-12)24(2,20)21/h3-10,17H,11H2,1-2H3
InChIKeyJJPIZYVGIPYECU-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.59
Rot. Bonds4

About 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one

3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one (PubChem CID 134130309) has the molecular formula C17H17NO3S3 and a molecular weight of 379.53 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
PubChem CID134130309
Molecular FormulaC17H17NO3S3
Molecular Weight379.53 g/mol
Exact Mass379.04
IUPAC Name3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(N2C(=O)CSC2c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H17NO3S3/c1-22-14-7-5-13(6-8-14)18-16(19)11-23-17(18)12-3-9-15(10-4-12)24(2,20)21/h3-10,17H,11H2,1-2H3
InChIKeyJJPIZYVGIPYECU-UHFFFAOYSA-N
XLogP3.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-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 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one (CID 134130309) is 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one is CSc1ccc(N2C(=O)CSC2c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is JJPIZYVGIPYECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S3/c1-22-14-7-5-13(6-8-14)18-16(19)11-23-17(18)12-3-9-15(10-4-12)24(2,20)21/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one?
3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 379.53 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 134130309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).