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

C19H19N5O4S — CID 16810375

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

1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 16810375) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 16810375
• Molecular Formula: C19H19N5O4S
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.12
• IUPAC Name: 1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide
• SMILES: NC(=O)C1CCN(C(c2ccco2)c2sc3nc(-c4ccco4)nn3c2O)CC1
• InChI: InChI=1S/C19H19N5O4S/c20-16(25)11-5-7-23(8-6-11)14(12-3-1-9-27-12)15-18(26)24-19(29-15)21-17(22-24)13-4-2-10-28-13/h1-4,9-11,14,26H,5-8H2,(H2,20,25)
• InChIKey: RJWQBJWWZNPWGT-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 123.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide (CID 16810375) is 1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(c2ccco2)c2sc3nc(-c4ccco4)nn3c2O)CC1.

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

The InChIKey is RJWQBJWWZNPWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c20-16(25)11-5-7-23(8-6-11)14(12-3-1-9-27-12)15-18(26)24-19(29-15)21-17(22-24)13-4-2-10-28-13/h1-4,9-11,14,26H,5-8H2,(H2,20,25).

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

1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 16810375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).