5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C20H26N4O3S — CID 7294573

About 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7294573) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 7294573
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCC(O)CC2)cc1
• InChI: InChI=1S/C20H26N4O3S/c1-3-16-21-20-24(22-16)19(26)18(28-20)17(23-11-9-14(25)10-12-23)13-5-7-15(8-6-13)27-4-2/h5-8,14,17,25-26H,3-4,9-12H2,1-2H3/t17-/m0/s1
• InChIKey: IHSLNNHCEHAJLU-KRWDZBQOSA-N
• XLogP: 3.00
• TPSA: 83.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The IUPAC name of 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7294573) is 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

What is the SMILES notation for 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The canonical SMILES for 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2O)N2CCC(O)CC2)cc1.

What is the InChIKey of 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

The InChIKey is IHSLNNHCEHAJLU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-16-21-20-24(22-16)19(26)18(28-20)17(23-11-9-14(25)10-12-23)13-5-7-15(8-6-13)27-4-2/h5-8,14,17,25-26H,3-4,9-12H2,1-2H3/t17-/m0/s1.

What are the key properties of 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?

5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 402.52 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(S)-(4-ethoxyphenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7294573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).