(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H15N3OS — CID 6886864

IUPAC(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C17H15N3OS/c21-16-13-22-17(19-18-11-14-7-3-1-4-8-14)20(16)12-15-9-5-2-6-10-15/h1-11H,12-13H2/b18-11+,19-17+
InChIKeyHQQXYIAFKYCIRT-HIIRIOHQSA-N
MW309.39 g/mol
LogP3.15
Rot. Bonds4

About (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6886864) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6886864
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C17H15N3OS/c21-16-13-22-17(19-18-11-14-7-3-1-4-8-14)20(16)12-15-9-5-2-6-10-15/h1-11H,12-13H2/b18-11+,19-17+
InChIKeyHQQXYIAFKYCIRT-HIIRIOHQSA-N
XLogP3.15
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6886864) is (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HQQXYIAFKYCIRT-HIIRIOHQSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16-13-22-17(19-18-11-14-7-3-1-4-8-14)20(16)12-15-9-5-2-6-10-15/h1-11H,12-13H2/b18-11+,19-17+.
What are the key properties of (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 309.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-benzyl-2-[(E)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6886864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).