2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C14H16N6O3S — CID 23942183

About 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 23942183) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
• PubChem CID: 23942183
• Molecular Formula: C14H16N6O3S
• Molecular Weight: 348.39 g/mol
• Exact Mass: 348.10
• IUPAC Name: 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
• SMILES: Nc1ncnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1
• InChI: InChI=1S/C14H16N6O3S/c15-13-16-9-17-14(18-13)24-8-11(21)19-3-5-20(6-4-19)12(22)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2,(H2,15,16,17,18)
• InChIKey: PAOXHCOXMJVLEG-UHFFFAOYSA-N
• XLogP: 0.12
• TPSA: 118.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.39
LogP ≤ 5	0.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 23942183) is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is Nc1ncnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)n1.

What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?

The InChIKey is PAOXHCOXMJVLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c15-13-16-9-17-14(18-13)24-8-11(21)19-3-5-20(6-4-19)12(22)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2,(H2,15,16,17,18).

What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 348.39 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 23942183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).