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

C23H16N4O2S — CID 108727778

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

3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (PubChem CID 108727778) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
• PubChem CID: 108727778
• Molecular Formula: C23H16N4O2S
• Molecular Weight: 412.47 g/mol
• Exact Mass: 412.10
• IUPAC Name: 3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
• SMILES: O=C(Nc1nc2scc(-c3ccccc3)n2n1)c1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C23H16N4O2S/c28-21(17-10-7-13-19(14-17)29-18-11-5-2-6-12-18)24-22-25-23-27(26-22)20(15-30-23)16-8-3-1-4-9-16/h1-15H,(H,24,26,28)
• InChIKey: NQNRHLXHDVJRBY-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.47
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide (CID 108727778) is 3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide.

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

The canonical SMILES for 3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is O=C(Nc1nc2scc(-c3ccccc3)n2n1)c1cccc(Oc2ccccc2)c1.

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

The InChIKey is NQNRHLXHDVJRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2S/c28-21(17-10-7-13-19(14-17)29-18-11-5-2-6-12-18)24-22-25-23-27(26-22)20(15-30-23)16-8-3-1-4-9-16/h1-15H,(H,24,26,28).

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

3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide has a molecular weight of 412.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide is sourced from PubChem (CID 108727778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).