2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide

C19H20N4O3S3 — CID 20965790

About 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide (PubChem CID 20965790) has the molecular formula C19H20N4O3S3 and a molecular weight of 448.60 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
• PubChem CID: 20965790
• Molecular Formula: C19H20N4O3S3
• Molecular Weight: 448.60 g/mol
• Exact Mass: 448.07
• IUPAC Name: 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide
• SMILES: COc1cc(C)c(C)cc1S(=O)(=O)NCCc1csc2nc(-c3cccs3)nn12
• InChI: InChI=1S/C19H20N4O3S3/c1-12-9-15(26-3)17(10-13(12)2)29(24,25)20-7-6-14-11-28-19-21-18(22-23(14)19)16-5-4-8-27-16/h4-5,8-11,20H,6-7H2,1-3H3
• InChIKey: ROOQFOBSOAFTGR-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.60
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide?

The IUPAC name of 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide (CID 20965790) is 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide.

What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide?

The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCc1csc2nc(-c3cccs3)nn12.

What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide?

The InChIKey is ROOQFOBSOAFTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S3/c1-12-9-15(26-3)17(10-13(12)2)29(24,25)20-7-6-14-11-28-19-21-18(22-23(14)19)16-5-4-8-27-16/h4-5,8-11,20H,6-7H2,1-3H3.

What are the key properties of 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide?

2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide has a molecular weight of 448.60 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-4,5-dimethyl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 20965790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).