(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C12H13N3O4S — CID 135519180

IUPAC(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2\NC(=O)CS2)cc(OC)c1O
InChIInChI=1S/C12H13N3O4S/c1-18-8-3-7(4-9(19-2)11(8)17)5-13-15-12-14-10(16)6-20-12/h3-5,17H,6H2,1-2H3,(H,14,15,16)/b13-5+
InChIKeyKQJXKUKBNBJARF-WLRTZDKTSA-N
MW295.32 g/mol
LogP0.96
Rot. Bonds4

About (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135519180) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135519180
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N/N=C2\NC(=O)CS2)cc(OC)c1O
InChIInChI=1S/C12H13N3O4S/c1-18-8-3-7(4-9(19-2)11(8)17)5-13-15-12-14-10(16)6-20-12/h3-5,17H,6H2,1-2H3,(H,14,15,16)/b13-5+
InChIKeyKQJXKUKBNBJARF-WLRTZDKTSA-N
XLogP0.96
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[(E)-(4-hydroxy-3,5-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-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135519180) is (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N/N=C2\NC(=O)CS2)cc(OC)c1O.
What is the InChIKey of (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KQJXKUKBNBJARF-WLRTZDKTSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-18-8-3-7(4-9(19-2)11(8)17)5-13-15-12-14-10(16)6-20-12/h3-5,17H,6H2,1-2H3,(H,14,15,16)/b13-5+.
What are the key properties of (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 295.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135519180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).