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

C16H13Cl2NOS2 — CID 4194179

IUPAC3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NOS2/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3
InChIKeyOOCOFUKEALKQOL-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.49
Rot. Bonds3

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

3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 4194179) has the molecular formula C16H13Cl2NOS2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID4194179
Molecular FormulaC16H13Cl2NOS2
Molecular Weight370.33 g/mol
Exact Mass368.98
IUPAC Name3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H13Cl2NOS2/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3
InChIKeyOOCOFUKEALKQOL-UHFFFAOYSA-N
XLogP5.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-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-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 4194179) is 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is OOCOFUKEALKQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NOS2/c1-21-12-5-2-10(3-6-12)16-19(15(20)9-22-16)11-4-7-13(17)14(18)8-11/h2-8,16H,9H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 370.33 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4194179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).