(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one

C17H13Cl2N3OS — CID 135645362

IUPAC(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccc2)SC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3OS/c18-13-7-6-12(8-14(13)19)9-15-16(23)21-17(24-15)22-20-10-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,21,22,23)/b20-10+
InChIKeyRUOKZOYNUJFADU-KEBDBYFISA-N
MW378.28 g/mol
LogP4.16
Rot. Bonds4

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

(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135645362) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135645362
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccccc2)SC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3OS/c18-13-7-6-12(8-14(13)19)9-15-16(23)21-17(24-15)22-20-10-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,21,22,23)/b20-10+
InChIKeyRUOKZOYNUJFADU-KEBDBYFISA-N
XLogP4.16
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 54.16
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-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)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-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one (CID 135645362) is (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccccc2)SC1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is RUOKZOYNUJFADU-KEBDBYFISA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c18-13-7-6-12(8-14(13)19)9-15-16(23)21-17(24-15)22-20-10-11-4-2-1-3-5-11/h1-8,10,15H,9H2,(H,21,22,23)/b20-10+.
What are the key properties of (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 378.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135645362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).