N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

C20H28N6OS2 — CID 46434733

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 46434733) has the molecular formula C20H28N6OS2 and a molecular weight of 432.62 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
• PubChem CID: 46434733
• Molecular Formula: C20H28N6OS2
• Molecular Weight: 432.62 g/mol
• Exact Mass: 432.18
• IUPAC Name: N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
• SMILES: CCN(CC)C(CNC(=O)Cc1c(C)nc2nc(SC)nn2c1C)c1ccsc1
• InChI: InChI=1S/C20H28N6OS2/c1-6-25(7-2)17(15-8-9-29-12-15)11-21-18(27)10-16-13(3)22-19-23-20(28-5)24-26(19)14(16)4/h8-9,12,17H,6-7,10-11H2,1-5H3,(H,21,27)
• InChIKey: VRVYNVZWOWLREH-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.62
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?

The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 46434733) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide.

What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?

The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is CCN(CC)C(CNC(=O)Cc1c(C)nc2nc(SC)nn2c1C)c1ccsc1.

What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?

The InChIKey is VRVYNVZWOWLREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6OS2/c1-6-25(7-2)17(15-8-9-29-12-15)11-21-18(27)10-16-13(3)22-19-23-20(28-5)24-26(19)14(16)4/h8-9,12,17H,6-7,10-11H2,1-5H3,(H,21,27).

What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide?

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 432.62 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 46434733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).