4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide

C18H16N4O4S2 — CID 108780737

About 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide

4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide (PubChem CID 108780737) has the molecular formula C18H16N4O4S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
• PubChem CID: 108780737
• Molecular Formula: C18H16N4O4S2
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.06
• IUPAC Name: 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)Nc2nc3scc(-c4ccccc4OC)n3n2)cc1
• InChI: InChI=1S/C18H16N4O4S2/c1-25-12-7-9-13(10-8-12)28(23,24)21-17-19-18-22(20-17)15(11-27-18)14-5-3-4-6-16(14)26-2/h3-11H,1-2H3,(H,20,21)
• InChIKey: FSGKDXBJFNXUAI-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?

The IUPAC name of 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide (CID 108780737) is 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?

The canonical SMILES for 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3scc(-c4ccccc4OC)n3n2)cc1.

What is the InChIKey of 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?

The InChIKey is FSGKDXBJFNXUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4S2/c1-25-12-7-9-13(10-8-12)28(23,24)21-17-19-18-22(20-17)15(11-27-18)14-5-3-4-6-16(14)26-2/h3-11H,1-2H3,(H,20,21).

What are the key properties of 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide?

4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide has a molecular weight of 416.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 108780737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).