2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one

C17H16ClNOS — CID 11842557

IUPAC2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(N2C(=O)CSC2c2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNOS/c1-11-6-12(2)8-15(7-11)19-16(20)10-21-17(19)13-4-3-5-14(18)9-13/h3-9,17H,10H2,1-2H3
InChIKeyNTMBXNCEJARYSN-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.74
Rot. Bonds2

About 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one

2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 11842557) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
PubChem CID11842557
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)cc(N2C(=O)CSC2c2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNOS/c1-11-6-12(2)8-15(7-11)19-16(20)10-21-17(19)13-4-3-5-14(18)9-13/h3-9,17H,10H2,1-2H3
InChIKeyNTMBXNCEJARYSN-UHFFFAOYSA-N
XLogP4.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-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-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one (CID 11842557) is 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one is Cc1cc(C)cc(N2C(=O)CSC2c2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is NTMBXNCEJARYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-11-6-12(2)8-15(7-11)19-16(20)10-21-17(19)13-4-3-5-14(18)9-13/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one?
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 317.84 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 11842557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).