(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one

C13H13Cl2N3OS — CID 122194396

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(C)C(=O)N1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3OS/c1-7(9-4-5-10(14)11(15)6-9)16-17-13-18(3)12(19)8(2)20-13/h4-6,8H,1-3H3/b16-7+,17-13+
InChIKeyCHQIPUOKHVWIHY-SAERGTNASA-N
MW330.24 g/mol
LogP3.67
Rot. Bonds2

About (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 122194396) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID122194396
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(C)C(=O)N1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3OS/c1-7(9-4-5-10(14)11(15)6-9)16-17-13-18(3)12(19)8(2)20-13/h4-6,8H,1-3H3/b16-7+,17-13+
InChIKeyCHQIPUOKHVWIHY-SAERGTNASA-N
XLogP3.67
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.67
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'}

Analyze (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-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-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one (CID 122194396) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one is C/C(=N\N=C1\SC(C)C(=O)N1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is CHQIPUOKHVWIHY-SAERGTNASA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-7(9-4-5-10(14)11(15)6-9)16-17-13-18(3)12(19)8(2)20-13/h4-6,8H,1-3H3/b16-7+,17-13+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 330.24 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).