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

C15H13N3O3S — CID 3057290

IUPAC3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1Nc1ccccc1
InChIInChI=1S/C15H13N3O3S/c19-14-10-22-15(11-5-4-8-13(9-11)18(20)21)17(14)16-12-6-2-1-3-7-12/h1-9,15-16H,10H2
InChIKeyAKFJWHDQTOMVCG-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.20
Rot. Bonds4

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

3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (PubChem CID 3057290) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
PubChem CID3057290
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc([N+](=O)[O-])c2)N1Nc1ccccc1
InChIInChI=1S/C15H13N3O3S/c19-14-10-22-15(11-5-4-8-13(9-11)18(20)21)17(14)16-12-6-2-1-3-7-12/h1-9,15-16H,10H2
InChIKeyAKFJWHDQTOMVCG-UHFFFAOYSA-N
XLogP3.20
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.20
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-anilino-2-(3-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-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one (CID 3057290) is 3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc([N+](=O)[O-])c2)N1Nc1ccccc1.
What is the InChIKey of 3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
The InChIKey is AKFJWHDQTOMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c19-14-10-22-15(11-5-4-8-13(9-11)18(20)21)17(14)16-12-6-2-1-3-7-12/h1-9,15-16H,10H2.
What are the key properties of 3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one?
3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one has a molecular weight of 315.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(3-nitrophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3057290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).