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

C22H18N4OS2 — CID 44976671

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

2-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (PubChem CID 44976671) has the molecular formula C22H18N4OS2 and a molecular weight of 418.55 g/mol. Its IUPAC name is 2-naphthalen-1-yl-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-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
• PubChem CID: 44976671
• Molecular Formula: C22H18N4OS2
• Molecular Weight: 418.55 g/mol
• Exact Mass: 418.09
• IUPAC Name: 2-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide
• SMILES: O=C(Cc1cccc2ccccc12)NCCc1csc2nc(-c3cccs3)nn12
• InChI: InChI=1S/C22H18N4OS2/c27-20(13-16-7-3-6-15-5-1-2-8-18(15)16)23-11-10-17-14-29-22-24-21(25-26(17)22)19-9-4-12-28-19/h1-9,12,14H,10-11,13H2,(H,23,27)
• InChIKey: HZAABZYNFXADTL-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.55
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-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-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide (CID 44976671) is 2-naphthalen-1-yl-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-naphthalen-1-yl-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-naphthalen-1-yl-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]acetamide is O=C(Cc1cccc2ccccc12)NCCc1csc2nc(-c3cccs3)nn12.

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

The InChIKey is HZAABZYNFXADTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS2/c27-20(13-16-7-3-6-15-5-1-2-8-18(15)16)23-11-10-17-14-29-22-24-21(25-26(17)22)19-9-4-12-28-19/h1-9,12,14H,10-11,13H2,(H,23,27).

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

2-naphthalen-1-yl-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 418.55 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-1-yl-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 44976671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).