N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide

C23H24N4O2S — CID 7216216

About N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide

N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide (PubChem CID 7216216) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide
• PubChem CID: 7216216
• Molecular Formula: C23H24N4O2S
• Molecular Weight: 420.54 g/mol
• Exact Mass: 420.16
• IUPAC Name: N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide
• SMILES: COc1ccc(-c2nc3scc(CCNC(=O)CCCc4ccccc4)n3n2)cc1
• InChI: InChI=1S/C23H24N4O2S/c1-29-20-12-10-18(11-13-20)22-25-23-27(26-22)19(16-30-23)14-15-24-21(28)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,16H,5,8-9,14-15H2,1H3,(H,24,28)
• InChIKey: LYMVXQHGOQAXFI-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.54
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide?

The IUPAC name of N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide (CID 7216216) is N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide.

What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide?

The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide is COc1ccc(-c2nc3scc(CCNC(=O)CCCc4ccccc4)n3n2)cc1.

What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide?

The InChIKey is LYMVXQHGOQAXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-29-20-12-10-18(11-13-20)22-25-23-27(26-22)19(16-30-23)14-15-24-21(28)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,16H,5,8-9,14-15H2,1H3,(H,24,28).

What are the key properties of N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide?

N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide has a molecular weight of 420.54 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-4-phenylbutanamide is sourced from PubChem (CID 7216216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).