5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C16H18N4OS — CID 3543391

About 5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3543391) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 3543391
• Molecular Formula: C16H18N4OS
• Molecular Weight: 314.41 g/mol
• Exact Mass: 314.12
• IUPAC Name: 5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Oc1c(C(c2ccccc2)N2CCCCC2)sc2ncnn12
• InChI: InChI=1S/C16H18N4OS/c21-15-14(22-16-17-11-18-20(15)16)13(12-7-3-1-4-8-12)19-9-5-2-6-10-19/h1,3-4,7-8,11,13,21H,2,5-6,9-10H2
• InChIKey: LZHOGGNPJVKSLR-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.41
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3543391) is 5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Oc1c(C(c2ccccc2)N2CCCCC2)sc2ncnn12.

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

The InChIKey is LZHOGGNPJVKSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-15-14(22-16-17-11-18-20(15)16)13(12-7-3-1-4-8-12)19-9-5-2-6-10-19/h1,3-4,7-8,11,13,21H,2,5-6,9-10H2.

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

5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 314.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3543391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).