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

C16H15NO2S — CID 2796543

IUPAC3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccccc2)cc1
InChIInChI=1S/C16H15NO2S/c1-19-14-9-7-13(8-10-14)17-15(18)11-20-16(17)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyWCNWGJXFJDMLIO-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.47
Rot. Bonds3

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

3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 2796543) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID2796543
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2ccccc2)cc1
InChIInChI=1S/C16H15NO2S/c1-19-14-9-7-13(8-10-14)17-15(18)11-20-16(17)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
InChIKeyWCNWGJXFJDMLIO-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one (CID 2796543) is 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is WCNWGJXFJDMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-19-14-9-7-13(8-10-14)17-15(18)11-20-16(17)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one?
3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 285.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2796543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).