(2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C13H15N3O4S — CID 135582331

IUPAC(2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N\N=C2/NC(=O)CS2)cc(OC)c1OC
InChIInChI=1S/C13H15N3O4S/c1-18-9-4-8(5-10(19-2)12(9)20-3)6-14-16-13-15-11(17)7-21-13/h4-6H,7H2,1-3H3,(H,15,16,17)/b14-6-
InChIKeyFTTJVOUPARAIBB-NSIKDUERSA-N
MW309.35 g/mol
LogP1.27
Rot. Bonds5

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

(2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135582331) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135582331
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name(2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=N\N=C2/NC(=O)CS2)cc(OC)c1OC
InChIInChI=1S/C13H15N3O4S/c1-18-9-4-8(5-10(19-2)12(9)20-3)6-14-16-13-15-11(17)7-21-13/h4-6H,7H2,1-3H3,(H,15,16,17)/b14-6-
InChIKeyFTTJVOUPARAIBB-NSIKDUERSA-N
XLogP1.27
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135582331) is (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1cc(/C=N\N=C2/NC(=O)CS2)cc(OC)c1OC.
What is the InChIKey of (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FTTJVOUPARAIBB-NSIKDUERSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-18-9-4-8(5-10(19-2)12(9)20-3)6-14-16-13-15-11(17)7-21-13/h4-6H,7H2,1-3H3,(H,15,16,17)/b14-6-.
What are the key properties of (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 309.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135582331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).