N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide

C17H16N4O2S3 — CID 20965812

About N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide

N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 20965812) has the molecular formula C17H16N4O2S3 and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide
• PubChem CID: 20965812
• Molecular Formula: C17H16N4O2S3
• Molecular Weight: 404.54 g/mol
• Exact Mass: 404.04
• IUPAC Name: N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide
• SMILES: Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccs3)n2n1
• InChI: InChI=1S/C17H16N4O2S3/c1-12-5-2-3-6-14(12)16-19-17-21(20-16)13(11-25-17)8-9-18-26(22,23)15-7-4-10-24-15/h2-7,10-11,18H,8-9H2,1H3
• InChIKey: NPBZTHFRRYOOCU-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.54
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide?

The IUPAC name of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide (CID 20965812) is N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide is Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccs3)n2n1.

What is the InChIKey of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide?

The InChIKey is NPBZTHFRRYOOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S3/c1-12-5-2-3-6-14(12)16-19-17-21(20-16)13(11-25-17)8-9-18-26(22,23)15-7-4-10-24-15/h2-7,10-11,18H,8-9H2,1H3.

What are the key properties of N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide?

N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 404.54 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 20965812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).