N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide

C16H17N5O2S — CID 110401241

About N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide

N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide (PubChem CID 110401241) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide
• PubChem CID: 110401241
• Molecular Formula: C16H17N5O2S
• Molecular Weight: 343.41 g/mol
• Exact Mass: 343.11
• IUPAC Name: N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide
• SMILES: O=C(COc1ccccc1)NCCc1nn2c(C3CC3)nnc2s1
• InChI: InChI=1S/C16H17N5O2S/c22-13(10-23-12-4-2-1-3-5-12)17-9-8-14-20-21-15(11-6-7-11)18-19-16(21)24-14/h1-5,11H,6-10H2,(H,17,22)
• InChIKey: LUAREUILWNPMMX-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.41
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide?

The IUPAC name of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide (CID 110401241) is N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide.

What is the SMILES notation for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide?

The canonical SMILES for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1nn2c(C3CC3)nnc2s1.

What is the InChIKey of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide?

The InChIKey is LUAREUILWNPMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-13(10-23-12-4-2-1-3-5-12)17-9-8-14-20-21-15(11-6-7-11)18-19-16(21)24-14/h1-5,11H,6-10H2,(H,17,22).

What are the key properties of N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide?

N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 343.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 110401241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).