N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide

C17H15FN4O2S3 — CID 22584840

About N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide

N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 22584840) has the molecular formula C17H15FN4O2S3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide
• PubChem CID: 22584840
• Molecular Formula: C17H15FN4O2S3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.03
• IUPAC Name: N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide
• SMILES: Cc1c(CCNS(=O)(=O)c2cccs2)sc2nc(-c3ccc(F)cc3)nn12
• InChI: InChI=1S/C17H15FN4O2S3/c1-11-14(8-9-19-27(23,24)15-3-2-10-25-15)26-17-20-16(21-22(11)17)12-4-6-13(18)7-5-12/h2-7,10,19H,8-9H2,1H3
• InChIKey: XFTHLYBVSAGSIQ-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide?

The IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide (CID 22584840) is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide?

The canonical SMILES for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide is Cc1c(CCNS(=O)(=O)c2cccs2)sc2nc(-c3ccc(F)cc3)nn12.

What is the InChIKey of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide?

The InChIKey is XFTHLYBVSAGSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S3/c1-11-14(8-9-19-27(23,24)15-3-2-10-25-15)26-17-20-16(21-22(11)17)12-4-6-13(18)7-5-12/h2-7,10,19H,8-9H2,1H3.

What are the key properties of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide?

N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 422.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22584840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).