N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide

C19H20N8O2S — CID 78896987

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide (PubChem CID 78896987) has the molecular formula C19H20N8O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
• PubChem CID: 78896987
• Molecular Formula: C19H20N8O2S
• Molecular Weight: 424.49 g/mol
• Exact Mass: 424.14
• IUPAC Name: N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
• SMILES: Cc1cc(N2CCN(CC(=O)Nc3nc(-c4ccco4)cs3)CC2)n2ncnc2n1
• InChI: InChI=1S/C19H20N8O2S/c1-13-9-17(27-18(22-13)20-12-21-27)26-6-4-25(5-7-26)10-16(28)24-19-23-14(11-30-19)15-3-2-8-29-15/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,23,24,28)
• InChIKey: BLTKVTHVOWOBKF-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 104.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.49
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?

The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide (CID 78896987) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?

The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide is Cc1cc(N2CCN(CC(=O)Nc3nc(-c4ccco4)cs3)CC2)n2ncnc2n1.

What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?

The InChIKey is BLTKVTHVOWOBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2S/c1-13-9-17(27-18(22-13)20-12-21-27)26-6-4-25(5-7-26)10-16(28)24-19-23-14(11-30-19)15-3-2-8-29-15/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,23,24,28).

What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide has a molecular weight of 424.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78896987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).