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

C10H9N3OS — CID 135533131

IUPAC(2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C/c2ccccc2)N1
InChIInChI=1S/C10H9N3OS/c14-9-7-15-10(12-9)13-11-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,14)/b11-6-
InChIKeyPYLFIXICMYGMMZ-WDZFZDKYSA-N
MW219.27 g/mol
LogP1.24
Rot. Bonds2

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

(2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135533131) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135533131
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name(2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C/c2ccccc2)N1
InChIInChI=1S/C10H9N3OS/c14-9-7-15-10(12-9)13-11-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,14)/b11-6-
InChIKeyPYLFIXICMYGMMZ-WDZFZDKYSA-N
XLogP1.24
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135533131) is (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C/c2ccccc2)N1.
What is the InChIKey of (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is PYLFIXICMYGMMZ-WDZFZDKYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-9-7-15-10(12-9)13-11-6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,13,14)/b11-6-.
What are the key properties of (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 219.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135533131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).