N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H21FN4O2S — CID 108728353

About N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 108728353) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• PubChem CID: 108728353
• Molecular Formula: C22H21FN4O2S
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.14
• IUPAC Name: N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
• SMILES: Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3scc(-c4ccc(F)cc4)n3n2)c1
• InChI: InChI=1S/C22H21FN4O2S/c1-13(2)17-9-4-14(3)10-19(17)29-11-20(28)24-21-25-22-27(26-21)18(12-30-22)15-5-7-16(23)8-6-15/h4-10,12-13H,11H2,1-3H3,(H,24,26,28)
• InChIKey: VBOQEEZRBMCNBD-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 108728353) is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

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

The canonical SMILES for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3scc(-c4ccc(F)cc4)n3n2)c1.

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

The InChIKey is VBOQEEZRBMCNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-13(2)17-9-4-14(3)10-19(17)29-11-20(28)24-21-25-22-27(26-21)18(12-30-22)15-5-7-16(23)8-6-15/h4-10,12-13H,11H2,1-3H3,(H,24,26,28).

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

N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 424.50 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 108728353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).