2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one

C17H18N2OS2 — CID 3477965

IUPAC2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2CCc2cccnc2)cc1
InChIInChI=1S/C17H18N2OS2/c1-21-15-6-4-14(5-7-15)17-19(16(20)12-22-17)10-8-13-3-2-9-18-11-13/h2-7,9,11,17H,8,10,12H2,1H3
InChIKeyWUUCFMRWKLKWFK-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.62
Rot. Bonds5

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

2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 3477965) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
PubChem CID3477965
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2CCc2cccnc2)cc1
InChIInChI=1S/C17H18N2OS2/c1-21-15-6-4-14(5-7-15)17-19(16(20)12-22-17)10-8-13-3-2-9-18-11-13/h2-7,9,11,17H,8,10,12H2,1H3
InChIKeyWUUCFMRWKLKWFK-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-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-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one (CID 3477965) is 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2CCc2cccnc2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is WUUCFMRWKLKWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-21-15-6-4-14(5-7-15)17-19(16(20)12-22-17)10-8-13-3-2-9-18-11-13/h2-7,9,11,17H,8,10,12H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one?
2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 330.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3477965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).