N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C19H19N5OS3 — CID 55444378

About N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55444378) has the molecular formula C19H19N5OS3 and a molecular weight of 429.60 g/mol. Its IUPAC name is N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 55444378
• Molecular Formula: C19H19N5OS3
• Molecular Weight: 429.60 g/mol
• Exact Mass: 429.08
• IUPAC Name: N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
• SMILES: CSCCC(NC(=O)Cc1csc(-c2ccsc2)n1)c1nnc2ccccn12
• InChI: InChI=1S/C19H19N5OS3/c1-26-8-6-15(18-23-22-16-4-2-3-7-24(16)18)21-17(25)10-14-12-28-19(20-14)13-5-9-27-11-13/h2-5,7,9,11-12,15H,6,8,10H2,1H3,(H,21,25)
• InChIKey: MUQUWHGFCLXPLK-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 72.18 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	429.60
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 55444378) is N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is CSCCC(NC(=O)Cc1csc(-c2ccsc2)n1)c1nnc2ccccn12.

What is the InChIKey of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?

The InChIKey is MUQUWHGFCLXPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS3/c1-26-8-6-15(18-23-22-16-4-2-3-7-24(16)18)21-17(25)10-14-12-28-19(20-14)13-5-9-27-11-13/h2-5,7,9,11-12,15H,6,8,10H2,1H3,(H,21,25).

What are the key properties of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 429.60 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55444378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).