(2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

C23H21N3O2S2 — CID 18845652

About (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 18845652) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
• PubChem CID: 18845652
• Molecular Formula: C23H21N3O2S2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.11
• IUPAC Name: (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C\c2ccco2)S/C(=N/c2nc(-c3ccccc3)cs2)N1C1CCCCC1
• InChI: InChI=1S/C23H21N3O2S2/c27-21-20(14-18-12-7-13-28-18)30-23(26(21)17-10-5-2-6-11-17)25-22-24-19(15-29-22)16-8-3-1-4-9-16/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2/b20-14+,25-23+
• InChIKey: YOOWHYVBFVAEBC-YJECAWTJSA-N
• XLogP: 6.34
• TPSA: 58.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	6.34
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-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 18845652) is (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccco2)S/C(=N/c2nc(-c3ccccc3)cs2)N1C1CCCCC1.

What is the InChIKey of (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The InChIKey is YOOWHYVBFVAEBC-YJECAWTJSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c27-21-20(14-18-12-7-13-28-18)30-23(26(21)17-10-5-2-6-11-17)25-22-24-19(15-29-22)16-8-3-1-4-9-16/h1,3-4,7-9,12-15,17H,2,5-6,10-11H2/b20-14+,25-23+.

What are the key properties of (2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

(2E,5E)-3-cyclohexyl-5-(furan-2-ylmethylidene)-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 435.57 g/mol, XLogP of 6.34, 4 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-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).