4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide

C23H24N4O2S — CID 108751813

About 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide

4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (PubChem CID 108751813) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
• PubChem CID: 108751813
• Molecular Formula: C23H24N4O2S
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.16
• IUPAC Name: 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
• SMILES: CCCCCCOc1ccc(C(=O)Nc2nc3scc(-c4ccccc4)n3n2)cc1
• InChI: InChI=1S/C23H24N4O2S/c1-2-3-4-8-15-29-19-13-11-18(12-14-19)21(28)24-22-25-23-27(26-22)20(16-30-23)17-9-6-5-7-10-17/h5-7,9-14,16H,2-4,8,15H2,1H3,(H,24,26,28)
• InChIKey: LOLYIKBWEAXNSZ-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?

The IUPAC name of 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (CID 108751813) is 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.

What is the SMILES notation for 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?

The canonical SMILES for 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is CCCCCCOc1ccc(C(=O)Nc2nc3scc(-c4ccccc4)n3n2)cc1.

What is the InChIKey of 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?

The InChIKey is LOLYIKBWEAXNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-2-3-4-8-15-29-19-13-11-18(12-14-19)21(28)24-22-25-23-27(26-22)20(16-30-23)17-9-6-5-7-10-17/h5-7,9-14,16H,2-4,8,15H2,1H3,(H,24,26,28).

What are the key properties of 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide?

4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide has a molecular weight of 420.54 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is sourced from PubChem (CID 108751813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).