(2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H12N4O3S — CID 135401412

IUPAC(2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)C(C)S1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H12N4O3S/c1-7(9-3-5-10(6-4-9)16(18)19)14-15-12-13-11(17)8(2)20-12/h3-6,8H,1-2H3,(H,13,15,17)/b14-7+
InChIKeyDENILIYOMZVVQY-VGOFMYFVSA-N
MW292.32 g/mol
LogP1.93
Rot. Bonds3

About (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135401412) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135401412
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name(2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)C(C)S1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H12N4O3S/c1-7(9-3-5-10(6-4-9)16(18)19)14-15-12-13-11(17)8(2)20-12/h3-6,8H,1-2H3,(H,13,15,17)/b14-7+
InChIKeyDENILIYOMZVVQY-VGOFMYFVSA-N
XLogP1.93
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-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 (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135401412) is (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/NC(=O)C(C)S1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DENILIYOMZVVQY-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7(9-3-5-10(6-4-9)16(18)19)14-15-12-13-11(17)8(2)20-12/h3-6,8H,1-2H3,(H,13,15,17)/b14-7+.
What are the key properties of (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 292.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-2-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135401412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).