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

C14H16N4OS2 — CID 102564348

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

5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 102564348) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

• Compound Name: 5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• PubChem CID: 102564348
• Molecular Formula: C14H16N4OS2
• Molecular Weight: 320.44 g/mol
• Exact Mass: 320.08
• IUPAC Name: 5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
• SMILES: Oc1c(C(c2ccsc2)N2CCCCC2)sc2ncnn12
• InChI: InChI=1S/C14H16N4OS2/c19-13-12(21-14-15-9-16-18(13)14)11(10-4-7-20-8-10)17-5-2-1-3-6-17/h4,7-9,11,19H,1-3,5-6H2
• InChIKey: CXMBMSDURHGBCF-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.44
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 102564348) is 5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

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

The canonical SMILES for 5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Oc1c(C(c2ccsc2)N2CCCCC2)sc2ncnn12.

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

The InChIKey is CXMBMSDURHGBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c19-13-12(21-14-15-9-16-18(13)14)11(10-4-7-20-8-10)17-5-2-1-3-6-17/h4,7-9,11,19H,1-3,5-6H2.

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

5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 320.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 102564348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).