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

C17H21N5O3S — CID 18576093

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

1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 18576093) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 18576093
• Molecular Formula: C17H21N5O3S
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.14
• IUPAC Name: 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide
• SMILES: CCc1nc2sc(C(c3ccco3)N3CCC(C(N)=O)CC3)c(O)n2n1
• InChI: InChI=1S/C17H21N5O3S/c1-2-12-19-17-22(20-12)16(24)14(26-17)13(11-4-3-9-25-11)21-7-5-10(6-8-21)15(18)23/h3-4,9-10,13,24H,2,5-8H2,1H3,(H2,18,23)
• InChIKey: QTIAGNYHSDVPKQ-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 109.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide (CID 18576093) is 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide is CCc1nc2sc(C(c3ccco3)N3CCC(C(N)=O)CC3)c(O)n2n1.

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

The InChIKey is QTIAGNYHSDVPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-2-12-19-17-22(20-12)16(24)14(26-17)13(11-4-3-9-25-11)21-7-5-10(6-8-21)15(18)23/h3-4,9-10,13,24H,2,5-8H2,1H3,(H2,18,23).

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

1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 18576093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).