(2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H14N4OS — CID 118713914

IUPAC(2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2ccncc2)N1Cc1ccccc1
InChIInChI=1S/C16H14N4OS/c21-15-12-22-16(19-18-10-13-6-8-17-9-7-13)20(15)11-14-4-2-1-3-5-14/h1-10H,11-12H2/b18-10-,19-16+
InChIKeyNVKYEQHUSJLPSC-OVNKMMOWSA-N
MW310.38 g/mol
LogP2.55
Rot. Bonds4

About (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 118713914) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID118713914
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name(2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C\c2ccncc2)N1Cc1ccccc1
InChIInChI=1S/C16H14N4OS/c21-15-12-22-16(19-18-10-13-6-8-17-9-7-13)20(15)11-14-4-2-1-3-5-14/h1-10H,11-12H2/b18-10-,19-16+
InChIKeyNVKYEQHUSJLPSC-OVNKMMOWSA-N
XLogP2.55
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 118713914) is (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C\c2ccncc2)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NVKYEQHUSJLPSC-OVNKMMOWSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-15-12-22-16(19-18-10-13-6-8-17-9-7-13)20(15)11-14-4-2-1-3-5-14/h1-10H,11-12H2/b18-10-,19-16+.
What are the key properties of (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 310.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-[(Z)-pyridin-4-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118713914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).