(2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

C20H17N3O2S2 — CID 18845344

About (2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 18845344) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
• PubChem CID: 18845344
• Molecular Formula: C20H17N3O2S2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.08
• IUPAC Name: (2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
• SMILES: CCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C20H17N3O2S2/c1-3-23-18(24)17(11-15-10-9-13(2)25-15)27-20(23)22-19-21-16(12-26-19)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b17-11+,22-20+
• InChIKey: PORPPRUAFDEBES-SYFXMVHNSA-N
• XLogP: 5.34
• TPSA: 58.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	5.34
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-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 18845344) is (2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1nc(-c2ccccc2)cs1.

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

The InChIKey is PORPPRUAFDEBES-SYFXMVHNSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-3-23-18(24)17(11-15-10-9-13(2)25-15)27-20(23)22-19-21-16(12-26-19)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b17-11+,22-20+.

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

(2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 395.51 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18845344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).