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

C13H12ClN3OS — CID 7559609

IUPAC(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3OS/c1-2-7-17-12(18)9-19-13(17)16-15-8-10-3-5-11(14)6-4-10/h2-6,8H,1,7,9H2/b15-8-,16-13+
InChIKeyNHUONYUPNJDWEW-JUKZPKAISA-N
MW293.78 g/mol
LogP2.79
Rot. Bonds4

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

(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 7559609) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID7559609
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)CS/C1=N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3OS/c1-2-7-17-12(18)9-19-13(17)16-15-8-10-3-5-11(14)6-4-10/h2-6,8H,1,7,9H2/b15-8-,16-13+
InChIKeyNHUONYUPNJDWEW-JUKZPKAISA-N
XLogP2.79
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.79
H-Bond Donors ≤ 50
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'}

Analyze (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 7559609) is (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)CS/C1=N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is NHUONYUPNJDWEW-JUKZPKAISA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-2-7-17-12(18)9-19-13(17)16-15-8-10-3-5-11(14)6-4-10/h2-6,8H,1,7,9H2/b15-8-,16-13+.
What are the key properties of (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 293.78 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 7559609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).