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

C20H16F2N4OS — CID 7287078

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

3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide (PubChem CID 7287078) has the molecular formula C20H16F2N4OS and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
• PubChem CID: 7287078
• Molecular Formula: C20H16F2N4OS
• Molecular Weight: 398.44 g/mol
• Exact Mass: 398.10
• IUPAC Name: 3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
• SMILES: Cc1c(CCNC(=O)c2cccc(F)c2)sc2nc(-c3ccc(F)cc3)nn12
• InChI: InChI=1S/C20H16F2N4OS/c1-12-17(9-10-23-19(27)14-3-2-4-16(22)11-14)28-20-24-18(25-26(12)20)13-5-7-15(21)8-6-13/h2-8,11H,9-10H2,1H3,(H,23,27)
• InChIKey: ONDXNQBHGDJJRW-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.44
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide (CID 7287078) is 3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide.

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

The canonical SMILES for 3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide is Cc1c(CCNC(=O)c2cccc(F)c2)sc2nc(-c3ccc(F)cc3)nn12.

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

The InChIKey is ONDXNQBHGDJJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4OS/c1-12-17(9-10-23-19(27)14-3-2-4-16(22)11-14)28-20-24-18(25-26(12)20)13-5-7-15(21)8-6-13/h2-8,11H,9-10H2,1H3,(H,23,27).

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

3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide has a molecular weight of 398.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7287078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).