2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide

C20H31N7O2S — CID 55658082

About 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide (PubChem CID 55658082) has the molecular formula C20H31N7O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
• PubChem CID: 55658082
• Molecular Formula: C20H31N7O2S
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.23
• IUPAC Name: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
• SMILES: CCCNC(=O)CN1CCC(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)CC1
• InChI: InChI=1S/C20H31N7O2S/c1-5-8-21-18(29)12-26-9-6-15(7-10-26)23-17(28)11-16-13(2)22-19-24-20(30-4)25-27(19)14(16)3/h15H,5-12H2,1-4H3,(H,21,29)(H,23,28)
• InChIKey: CFVVNGMCXUEMNP-UHFFFAOYSA-N
• XLogP: 1.11
• TPSA: 104.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide?

The IUPAC name of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide (CID 55658082) is 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide is CCCNC(=O)CN1CCC(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)CC1.

What is the InChIKey of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide?

The InChIKey is CFVVNGMCXUEMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O2S/c1-5-8-21-18(29)12-26-9-6-15(7-10-26)23-17(28)11-16-13(2)22-19-24-20(30-4)25-27(19)14(16)3/h15H,5-12H2,1-4H3,(H,21,29)(H,23,28).

What are the key properties of 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide?

2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide has a molecular weight of 433.58 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55658082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).