N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide

C18H15N5O2S — CID 6625750

About N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide

N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide (PubChem CID 6625750) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide
• PubChem CID: 6625750
• Molecular Formula: C18H15N5O2S
• Molecular Weight: 365.42 g/mol
• Exact Mass: 365.09
• IUPAC Name: N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide
• SMILES: O=C(Cc1ccccc1)Nc1nn2c(COc3ccccc3)nnc2s1
• InChI: InChI=1S/C18H15N5O2S/c24-16(11-13-7-3-1-4-8-13)19-17-22-23-15(20-21-18(23)26-17)12-25-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,22,24)
• InChIKey: YNERVYMARRHEED-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.42
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide (CID 6625750) is N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide.

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

The canonical SMILES for N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nn2c(COc3ccccc3)nnc2s1.

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

The InChIKey is YNERVYMARRHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-16(11-13-7-3-1-4-8-13)19-17-22-23-15(20-21-18(23)26-17)12-25-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,22,24).

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

N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide has a molecular weight of 365.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-phenylacetamide is sourced from PubChem (CID 6625750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).