3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C14H16N6O2S2 — CID 131953395

IUPAC3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCS(=O)(=O)N1CCCC(c2nnc3sc(-c4cccnc4)nn23)C1
InChIInChI=1S/C14H16N6O2S2/c1-24(21,22)19-7-3-5-11(9-19)12-16-17-14-20(12)18-13(23-14)10-4-2-6-15-8-10/h2,4,6,8,11H,3,5,7,9H2,1H3
InChIKeyVHUWNFYSLLTDOD-UHFFFAOYSA-N
MW364.46 g/mol
LogP1.39
Rot. Bonds3

About 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 131953395) has the molecular formula C14H16N6O2S2 and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID131953395
Molecular FormulaC14H16N6O2S2
Molecular Weight364.46 g/mol
Exact Mass364.08
IUPAC Name3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCS(=O)(=O)N1CCCC(c2nnc3sc(-c4cccnc4)nn23)C1
InChIInChI=1S/C14H16N6O2S2/c1-24(21,22)19-7-3-5-11(9-19)12-16-17-14-20(12)18-13(23-14)10-4-2-6-15-8-10/h2,4,6,8,11H,3,5,7,9H2,1H3
InChIKeyVHUWNFYSLLTDOD-UHFFFAOYSA-N
XLogP1.39
TPSA93.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 131953395) is 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CS(=O)(=O)N1CCCC(c2nnc3sc(-c4cccnc4)nn23)C1.
What is the InChIKey of 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VHUWNFYSLLTDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S2/c1-24(21,22)19-7-3-5-11(9-19)12-16-17-14-20(12)18-13(23-14)10-4-2-6-15-8-10/h2,4,6,8,11H,3,5,7,9H2,1H3.
What are the key properties of 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 364.46 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpiperidin-3-yl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 131953395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).