(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

C13H13N3OS — CID 135422612

IUPAC(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCC1S/C(=N\N=C\c2ccccc2)NC1=O
InChIInChI=1S/C13H13N3OS/c1-2-6-11-12(17)15-13(18-11)16-14-9-10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2,(H,15,16,17)/b14-9+
InChIKeyCSVINWQTTSZRHB-NTEUORMPSA-N
MW259.33 g/mol
LogP2.18
Rot. Bonds4

About (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 135422612) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID135422612
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCC1S/C(=N\N=C\c2ccccc2)NC1=O
InChIInChI=1S/C13H13N3OS/c1-2-6-11-12(17)15-13(18-11)16-14-9-10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2,(H,15,16,17)/b14-9+
InChIKeyCSVINWQTTSZRHB-NTEUORMPSA-N
XLogP2.18
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (CID 135422612) is (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is C=CCC1S/C(=N\N=C\c2ccccc2)NC1=O.
What is the InChIKey of (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is CSVINWQTTSZRHB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-6-11-12(17)15-13(18-11)16-14-9-10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2,(H,15,16,17)/b14-9+.
What are the key properties of (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 259.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135422612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).