1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone

C16H19N5O3S — CID 110382002

About 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone

1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 110382002) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone
• PubChem CID: 110382002
• Molecular Formula: C16H19N5O3S
• Molecular Weight: 361.43 g/mol
• Exact Mass: 361.12
• IUPAC Name: 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(C(c2ccco2)c2sc3nc(C)nn3c2O)CC1
• InChI: InChI=1S/C16H19N5O3S/c1-10-17-16-21(18-10)15(23)14(25-16)13(12-4-3-9-24-12)20-7-5-19(6-8-20)11(2)22/h3-4,9,13,23H,5-8H2,1-2H3
• InChIKey: MSUAUOOABFBLBP-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 87.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.43
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 110382002) is 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(c2ccco2)c2sc3nc(C)nn3c2O)CC1.

What is the InChIKey of 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone?

The InChIKey is MSUAUOOABFBLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-10-17-16-21(18-10)15(23)14(25-16)13(12-4-3-9-24-12)20-7-5-19(6-8-20)11(2)22/h3-4,9,13,23H,5-8H2,1-2H3.

What are the key properties of 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone?

1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 361.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110382002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).