(2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C17H17N3O2S2 — CID 18844622

About (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

(2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 18844622) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
• PubChem CID: 18844622
• Molecular Formula: C17H17N3O2S2
• Molecular Weight: 359.48 g/mol
• Exact Mass: 359.08
• IUPAC Name: (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C\c2ccco2)S/C(=N/c2nccs2)N1C1CCCCC1
• InChI: InChI=1S/C17H17N3O2S2/c21-15-14(11-13-7-4-9-22-13)24-17(19-16-18-8-10-23-16)20(15)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2/b14-11+,19-17+
• InChIKey: BEODXOKAEKHESH-YWUXTCLMSA-N
• XLogP: 4.67
• TPSA: 58.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.48
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 18844622) is (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccco2)S/C(=N/c2nccs2)N1C1CCCCC1.

What is the InChIKey of (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?

The InChIKey is BEODXOKAEKHESH-YWUXTCLMSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c21-15-14(11-13-7-4-9-22-13)24-17(19-16-18-8-10-23-16)20(15)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2/b14-11+,19-17+.

What are the key properties of (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?

(2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 359.48 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).