5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C₁₃H₁₅N₃OS₂ — CID 136871961

About 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 136871961) has the molecular formula C₁₃H₁₅N₃OS₂ and a molecular weight of 293.42 g/mol. Its IUPAC name is 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 136871961
• Molecular Formula: C₁₃H₁₅N₃OS₂
• Molecular Weight: 293.42 g/mol
• Exact Mass: 293.07
• IUPAC Name: 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: CCC1SC(=N/N=C\CSc2ccccc2)NC1=O
• InChI: InChI=1S/C13H15N3OS2/c1-2-11-12(17)15-13(19-11)16-14-8-9-18-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H,15,16,17)/b14-8-
• InChIKey: YXDJUKLUJWOPOU-ZSOIEALJSA-N
• XLogP: 2.76
• TPSA: 53.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.42
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 136871961) is 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC1SC(=N/N=C\CSc2ccccc2)NC1=O.

What is the InChIKey of 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The InChIKey is YXDJUKLUJWOPOU-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-2-11-12(17)15-13(19-11)16-14-8-9-18-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H,15,16,17)/b14-8-.

What are the key properties of 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?

5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 293.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136871961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 136871961 — identifiers, structure, computed properties (public domain)

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