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

C10H14F3N3OS — CID 107305905

IUPAC5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)17-6-4-7-3-1-2-5-14-7/h7,14H,1-6H2
InChIKeyGRZLSFZKNVFEDC-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.47
Rot. Bonds4

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

5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 107305905) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID107305905
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(OCCC2CCCCN2)n1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)17-6-4-7-3-1-2-5-14-7/h7,14H,1-6H2
InChIKeyGRZLSFZKNVFEDC-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 107305905) is 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(OCCC2CCCCN2)n1.
What is the InChIKey of 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is GRZLSFZKNVFEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)8-15-9(18-16-8)17-6-4-7-3-1-2-5-14-7/h7,14H,1-6H2.
What are the key properties of 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 281.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-2-ylethoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 107305905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).