2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide

C19H18N4O3S2 — CID 7530890

About 2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide

2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (PubChem CID 7530890) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
• PubChem CID: 7530890
• Molecular Formula: C19H18N4O3S2
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.08
• IUPAC Name: 2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
• SMILES: COc1ccccc1OCC(=O)NCCc1csc2nc(-c3cccs3)nn12
• InChI: InChI=1S/C19H18N4O3S2/c1-25-14-5-2-3-6-15(14)26-11-17(24)20-9-8-13-12-28-19-21-18(22-23(13)19)16-7-4-10-27-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,24)
• InChIKey: UILXFHVPXHGTPR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (CID 7530890) is 2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide.

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

The canonical SMILES for 2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is COc1ccccc1OCC(=O)NCCc1csc2nc(-c3cccs3)nn12.

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

The InChIKey is UILXFHVPXHGTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-25-14-5-2-3-6-15(14)26-11-17(24)20-9-8-13-12-28-19-21-18(22-23(13)19)16-7-4-10-27-16/h2-7,10,12H,8-9,11H2,1H3,(H,20,24).

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

2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenoxy)-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is sourced from PubChem (CID 7530890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).