3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole

C9H12F3N3S — CID 83959825

IUPAC3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nc(CN2CCCCC2)ns1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-13-7(14-16-8)6-15-4-2-1-3-5-15/h1-6H2
InChIKeyUXOKAOKOHABBAI-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.54
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole

3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 83959825) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID83959825
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nc(CN2CCCCC2)ns1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-13-7(14-16-8)6-15-4-2-1-3-5-15/h1-6H2
InChIKeyUXOKAOKOHABBAI-UHFFFAOYSA-N
XLogP2.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole (CID 83959825) is 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nc(CN2CCCCC2)ns1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is UXOKAOKOHABBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)8-13-7(14-16-8)6-15-4-2-1-3-5-15/h1-6H2.
What are the key properties of 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole?
3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 251.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 83959825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).