(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H13N3O3S — CID 135958680

IUPAC(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N\N=C2/NC(=O)CS2)cc1OC
InChIInChI=1S/C12H13N3O3S/c1-17-9-4-3-8(5-10(9)18-2)6-13-15-12-14-11(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6-
InChIKeyHIVYIIYHZZVIQJ-MLPAPPSSSA-N
MW279.32 g/mol
LogP1.26
Rot. Bonds4

About (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135958680) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135958680
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=N\N=C2/NC(=O)CS2)cc1OC
InChIInChI=1S/C12H13N3O3S/c1-17-9-4-3-8(5-10(9)18-2)6-13-15-12-14-11(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6-
InChIKeyHIVYIIYHZZVIQJ-MLPAPPSSSA-N
XLogP1.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-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)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135958680) is (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=N\N=C2/NC(=O)CS2)cc1OC.
What is the InChIKey of (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HIVYIIYHZZVIQJ-MLPAPPSSSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-17-9-4-3-8(5-10(9)18-2)6-13-15-12-14-11(16)7-19-12/h3-6H,7H2,1-2H3,(H,14,15,16)/b13-6-.
What are the key properties of (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 279.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135958680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).