2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

C17H15NO3S — CID 2860307

IUPAC2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H15NO3S/c1-11-2-5-13(6-3-11)18-16(19)9-22-17(18)12-4-7-14-15(8-12)21-10-20-14/h2-8,17H,9-10H2,1H3
InChIKeyOYFLSVPOPYLDFC-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.50
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 2860307) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID2860307
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H15NO3S/c1-11-2-5-13(6-3-11)18-16(19)9-22-17(18)12-4-7-14-15(8-12)21-10-20-14/h2-8,17H,9-10H2,1H3
InChIKeyOYFLSVPOPYLDFC-UHFFFAOYSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-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-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 2860307) is 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is OYFLSVPOPYLDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-11-2-5-13(6-3-11)18-16(19)9-22-17(18)12-4-7-14-15(8-12)21-10-20-14/h2-8,17H,9-10H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 313.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2860307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).