2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one

C16H15NOS — CID 3107224

IUPAC2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H15NOS/c1-12-7-9-13(10-8-12)16-17(15(18)11-19-16)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
InChIKeyCJWNCGFQSIAFQW-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.77
Rot. Bonds2

About 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one

2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 3107224) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID3107224
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H15NOS/c1-12-7-9-13(10-8-12)16-17(15(18)11-19-16)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
InChIKeyCJWNCGFQSIAFQW-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one (CID 3107224) is 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one is Cc1ccc(C2SCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CJWNCGFQSIAFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-12-7-9-13(10-8-12)16-17(15(18)11-19-16)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3.
What are the key properties of 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 269.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3107224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).