3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one

C16H15NO2S — CID 2732432

IUPAC3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2O)N1Cc1ccccc1
InChIInChI=1S/C16H15NO2S/c18-14-9-5-4-8-13(14)16-17(15(19)11-20-16)10-12-6-2-1-3-7-12/h1-9,16,18H,10-11H2
InChIKeyWFJWESYITGPHBR-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.17
Rot. Bonds3

About 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one

3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2732432) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2732432
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2O)N1Cc1ccccc1
InChIInChI=1S/C16H15NO2S/c18-14-9-5-4-8-13(14)16-17(15(19)11-20-16)10-12-6-2-1-3-7-12/h1-9,16,18H,10-11H2
InChIKeyWFJWESYITGPHBR-UHFFFAOYSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 2732432) is 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is WFJWESYITGPHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-14-9-5-4-8-13(14)16-17(15(19)11-20-16)10-12-6-2-1-3-7-12/h1-9,16,18H,10-11H2.
What are the key properties of 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one?
3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).