(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

C12H12ClN3OS — CID 135438851

IUPAC(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\NC(=O)C(C)S1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3OS/c1-7(9-3-5-10(13)6-4-9)15-16-12-14-11(17)8(2)18-12/h3-6,8H,1-2H3,(H,14,16,17)/b15-7-
InChIKeyBFDGLHFZBLDWBW-CHHVJCJISA-N
MW281.77 g/mol
LogP2.67
Rot. Bonds2

About (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one

(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135438851) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID135438851
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1\NC(=O)C(C)S1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3OS/c1-7(9-3-5-10(13)6-4-9)15-16-12-14-11(17)8(2)18-12/h3-6,8H,1-2H3,(H,14,16,17)/b15-7-
InChIKeyBFDGLHFZBLDWBW-CHHVJCJISA-N
XLogP2.67
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.67
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'}

Analyze (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-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)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 135438851) is (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is C/C(=N/N=C1\NC(=O)C(C)S1)c1ccc(Cl)cc1.
What is the InChIKey of (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is BFDGLHFZBLDWBW-CHHVJCJISA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7(9-3-5-10(13)6-4-9)15-16-12-14-11(17)8(2)18-12/h3-6,8H,1-2H3,(H,14,16,17)/b15-7-.
What are the key properties of (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 281.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135438851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).