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

C16H15NO2S — CID 5172655

IUPAC3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(O)c2)N1Cc1ccccc1
InChIInChI=1S/C16H15NO2S/c18-14-8-4-7-13(9-14)16-17(15(19)11-20-16)10-12-5-2-1-3-6-12/h1-9,16,18H,10-11H2
InChIKeyQKQCYQIXDAZQGC-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.17
Rot. Bonds3

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

3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 5172655) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one
PubChem CID5172655
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(O)c2)N1Cc1ccccc1
InChIInChI=1S/C16H15NO2S/c18-14-8-4-7-13(9-14)16-17(15(19)11-20-16)10-12-5-2-1-3-6-12/h1-9,16,18H,10-11H2
InChIKeyQKQCYQIXDAZQGC-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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 5172655) is 3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(O)c2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is QKQCYQIXDAZQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-14-8-4-7-13(9-14)16-17(15(19)11-20-16)10-12-5-2-1-3-6-12/h1-9,16,18H,10-11H2.
What are the key properties of 3-benzyl-2-(3-hydroxyphenyl)-1,3-thiazolidin-4-one?
3-benzyl-2-(3-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-(3-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5172655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).