(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C₁₀H₇Cl₂N₃OS — CID 135971161

About (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135971161) has the molecular formula C₁₀H₇Cl₂N₃OS and a molecular weight of 288.16 g/mol. Its IUPAC name is (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135971161
• Molecular Formula: C₁₀H₇Cl₂N₃OS
• Molecular Weight: 288.16 g/mol
• Exact Mass: 286.97
• IUPAC Name: (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1CS/C(=N/N=C/c2c(Cl)cccc2Cl)N1
• InChI: InChI=1S/C10H7Cl2N3OS/c11-7-2-1-3-8(12)6(7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)/b13-4+
• InChIKey: RIJKGOXAALFOGI-YIXHJXPBSA-N
• XLogP: 2.55
• TPSA: 53.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.16
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135971161) is (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2c(Cl)cccc2Cl)N1.

What is the InChIKey of (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The InChIKey is RIJKGOXAALFOGI-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS/c11-7-2-1-3-8(12)6(7)4-13-15-10-14-9(16)5-17-10/h1-4H,5H2,(H,14,15,16)/b13-4+.

What are the key properties of (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

(2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 288.16 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[(E)-(2,6-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135971161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135971161 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.