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

C15H11Cl2N3OS2 — CID 172923085

IUPAC5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=N/N=C/c2cccs2)SC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3OS2/c16-10-4-3-9(12(17)7-10)6-13-14(21)19-15(23-13)20-18-8-11-2-1-5-22-11/h1-5,7-8,13H,6H2,(H,19,20,21)/b18-8+
InChIKeyHEGIRXVLVLQKLJ-QGMBQPNBSA-N
MW384.31 g/mol
LogP4.22
Rot. Bonds4

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

5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 172923085) has the molecular formula C15H11Cl2N3OS2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID172923085
Molecular FormulaC15H11Cl2N3OS2
Molecular Weight384.31 g/mol
Exact Mass382.97
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=N/N=C/c2cccs2)SC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3OS2/c16-10-4-3-9(12(17)7-10)6-13-14(21)19-15(23-13)20-18-8-11-2-1-5-22-11/h1-5,7-8,13H,6H2,(H,19,20,21)/b18-8+
InChIKeyHEGIRXVLVLQKLJ-QGMBQPNBSA-N
XLogP4.22
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-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 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 172923085) is 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1NC(=N/N=C/c2cccs2)SC1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is HEGIRXVLVLQKLJ-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS2/c16-10-4-3-9(12(17)7-10)6-13-14(21)19-15(23-13)20-18-8-11-2-1-5-22-11/h1-5,7-8,13H,6H2,(H,19,20,21)/b18-8+.
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 384.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172923085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).