3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole

C10H14F3N3OS — CID 162603508

IUPAC3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCCOc1nsc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H14F3N3OS/c1-2-17-8-14-9(18-15-8)16-5-3-4-7(6-16)10(11,12)13/h7H,2-6H2,1H3
InChIKeyJKNMBDYJZPXISV-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.72
Rot. Bonds3

About 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole

3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 162603508) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID162603508
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCCOc1nsc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C10H14F3N3OS/c1-2-17-8-14-9(18-15-8)16-5-3-4-7(6-16)10(11,12)13/h7H,2-6H2,1H3
InChIKeyJKNMBDYJZPXISV-UHFFFAOYSA-N
XLogP2.72
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-But-2-ynoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792118
3-Methylthio-5-(3-trifluoromethylpiperidino)-1,2,4-thiadiazole
CID 58792132
5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278807
1-[3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-yl]-3-(trifluoromethyl)piperidine
CID 168055756
5-(3-Methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
CID 58792100
3-But-2-ynoxy-5-piperidin-1-yl-1,2,4-thiadiazole
CID 58792105
3-But-2-ynoxy-5-(3,5-diethylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58792109
3-(2-Propynyloxy)-5-(3,5-dimethylpiperidino)-1,2,4-thiadiazole
CID 58792115
5-(4-Methylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
CID 58792116
3-But-2-ynoxy-5-(3-methylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58792119
5-(3,5-Dimethylpiperidin-1-yl)-3-pent-2-ynoxy-1,2,4-thiadiazole
CID 58792124
3-But-2-ynoxy-5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole
CID 58792126

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (CID 162603508) is 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is CCOc1nsc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is JKNMBDYJZPXISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-2-17-8-14-9(18-15-8)16-5-3-4-7(6-16)10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 281.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 162603508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).