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

C15H12N2O3S — CID 2844802

IUPAC2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccccc1
InChIInChI=1S/C15H12N2O3S/c18-14-10-21-15(16(14)12-6-2-1-3-7-12)11-5-4-8-13(9-11)17(19)20/h1-9,15H,10H2
InChIKeyUGPKQUAWSIETTO-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.37
Rot. Bonds3

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

2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 2844802) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID2844802
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccccc1
InChIInChI=1S/C15H12N2O3S/c18-14-10-21-15(16(14)12-6-2-1-3-7-12)11-5-4-8-13(9-11)17(19)20/h1-9,15H,10H2
InChIKeyUGPKQUAWSIETTO-UHFFFAOYSA-N
XLogP3.37
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one (CID 2844802) is 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2cccc([N+](=O)[O-])c2)N1c1ccccc1.
What is the InChIKey of 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is UGPKQUAWSIETTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-14-10-21-15(16(14)12-6-2-1-3-7-12)11-5-4-8-13(9-11)17(19)20/h1-9,15H,10H2.
What are the key properties of 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one?
2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 300.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2844802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).