N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

C19H26N6O2S — CID 42985063

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 42985063) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
• PubChem CID: 42985063
• Molecular Formula: C19H26N6O2S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.18
• IUPAC Name: N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
• SMILES: CCN(CC)C(CNC(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccco1
• InChI: InChI=1S/C19H26N6O2S/c1-5-24(6-2)15(16-8-7-9-27-16)11-20-17(26)12-28-19-22-18-21-13(3)10-14(4)25(18)23-19/h7-10,15H,5-6,11-12H2,1-4H3,(H,20,26)
• InChIKey: ASFJAPQDKQVPIB-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 88.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide (CID 42985063) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is CCN(CC)C(CNC(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccco1.

What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

The InChIKey is ASFJAPQDKQVPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-5-24(6-2)15(16-8-7-9-27-16)11-20-17(26)12-28-19-22-18-21-13(3)10-14(4)25(18)23-19/h7-10,15H,5-6,11-12H2,1-4H3,(H,20,26).

What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide?

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.63, 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-(furan-2-yl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 42985063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).