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

C15H12N2O4S — CID 4231303

IUPAC3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2[N+](=O)[O-])N1c1ccc(O)cc1
InChIInChI=1S/C15H12N2O4S/c18-11-7-5-10(6-8-11)16-14(19)9-22-15(16)12-3-1-2-4-13(12)17(20)21/h1-8,15,18H,9H2
InChIKeyPXSNAKLGEOSNHV-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.08
Rot. Bonds3

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

3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 4231303) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID4231303
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2[N+](=O)[O-])N1c1ccc(O)cc1
InChIInChI=1S/C15H12N2O4S/c18-11-7-5-10(6-8-11)16-14(19)9-22-15(16)12-3-1-2-4-13(12)17(20)21/h1-8,15,18H,9H2
InChIKeyPXSNAKLGEOSNHV-UHFFFAOYSA-N
XLogP3.08
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-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 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one (CID 4231303) is 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2[N+](=O)[O-])N1c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is PXSNAKLGEOSNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-11-7-5-10(6-8-11)16-14(19)9-22-15(16)12-3-1-2-4-13(12)17(20)21/h1-8,15,18H,9H2.
What are the key properties of 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one?
3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 316.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-(2-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4231303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).