1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone

C10H12F3N3OS — CID 107304541

IUPAC1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H12F3N3OS/c1-6(17)7-3-2-4-16(5-7)9-14-8(15-18-9)10(11,12)13/h7H,2-5H2,1H3
InChIKeyJXAKIIFMDVTUSU-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.36
Rot. Bonds2

About 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone

1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone (PubChem CID 107304541) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone
PubChem CID107304541
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H12F3N3OS/c1-6(17)7-3-2-4-16(5-7)9-14-8(15-18-9)10(11,12)13/h7H,2-5H2,1H3
InChIKeyJXAKIIFMDVTUSU-UHFFFAOYSA-N
XLogP2.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-one
CID 107304540
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]ethanone
CID 107304542
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one
CID 107304546
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carbaldehyde
CID 107305985
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-3-carbaldehyde
CID 107305986
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanone
CID 113943896
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65268308
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65268309
1-[1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272167
1-[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272218
1-[1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272219
1-[1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
CID 65272221

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone (CID 107304541) is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone?
The InChIKey is JXAKIIFMDVTUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-6(17)7-3-2-4-16(5-7)9-14-8(15-18-9)10(11,12)13/h7H,2-5H2,1H3.
What are the key properties of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone?
1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone has a molecular weight of 279.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanone is sourced from PubChem (CID 107304541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).