(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

C17H13N3O3S — CID 135523730

IUPAC(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccc3c(c2)OCO3)SC1c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-16-15(12-4-2-1-3-5-12)24-17(19-16)20-18-9-11-6-7-13-14(8-11)23-10-22-13/h1-9,15H,10H2,(H,19,20,21)/b18-9+
InChIKeyKIPHSKOKKHDXTO-GIJQJNRQSA-N
MW339.38 g/mol
LogP2.71
Rot. Bonds3

About (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 135523730) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
PubChem CID135523730
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/c2ccc3c(c2)OCO3)SC1c1ccccc1
InChIInChI=1S/C17H13N3O3S/c21-16-15(12-4-2-1-3-5-12)24-17(19-16)20-18-9-11-6-7-13-14(8-11)23-10-22-13/h1-9,15H,10H2,(H,19,20,21)/b18-9+
InChIKeyKIPHSKOKKHDXTO-GIJQJNRQSA-N
XLogP2.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.71
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'}

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Related Compounds

(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135677675
(2Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135650471
2-[(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135444282
2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135513567
(2Z,5R)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 136822492
(2Z)-2-[(E)-(4-ethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135648218
(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135603935
2-[2-(1,3-benzodioxol-5-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
CID 135531774
(2E)-2-(1,3-benzodioxol-5-ylmethylidenehydrazinylidene)-N-(3-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135706066
2-(1,3-benzodioxol-5-ylmethylidenehydrazinylidene)-N-(3-chlorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135539270
(5R)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135906037
2-[(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 171128696

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (CID 135523730) is (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C/c2ccc3c(c2)OCO3)SC1c1ccccc1.
What is the InChIKey of (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is KIPHSKOKKHDXTO-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-16-15(12-4-2-1-3-5-12)24-17(19-16)20-18-9-11-6-7-13-14(8-11)23-10-22-13/h1-9,15H,10H2,(H,19,20,21)/b18-9+.
What are the key properties of (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 339.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135523730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).