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

C9H12F3N3OS — CID 107305908

IUPAC5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(OCC2CCCCN2)n1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)16-5-6-3-1-2-4-13-6/h6,13H,1-5H2
InChIKeyBDZCPEUGPOQNNR-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.08
Rot. Bonds3

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

5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107305908) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107305908
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(OCC2CCCCN2)n1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)16-5-6-3-1-2-4-13-6/h6,13H,1-5H2
InChIKeyBDZCPEUGPOQNNR-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107305908) is 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(OCC2CCCCN2)n1.
What is the InChIKey of 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is BDZCPEUGPOQNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)7-14-8(17-15-7)16-5-6-3-1-2-4-13-6/h6,13H,1-5H2.
What are the key properties of 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 267.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-2-ylmethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107305908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).