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

C8H8F3N3OS — CID 107304546

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one
SMILESO=C1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H8F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-2-5(15)4-14/h1-4H2
InChIKeyXCCNFGULBPOWHA-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.73
Rot. Bonds1

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

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one (PubChem CID 107304546) has the molecular formula C8H8F3N3OS and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one
PubChem CID107304546
Molecular FormulaC8H8F3N3OS
Molecular Weight251.23 g/mol
Exact Mass251.03
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one
SMILESO=C1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C8H8F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-2-5(15)4-14/h1-4H2
InChIKeyXCCNFGULBPOWHA-UHFFFAOYSA-N
XLogP1.73
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.73
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-3-yl]ethanone
CID 107304541
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]ethanone
CID 107304542
4-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexan-1-one
CID 107304544
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-2-carbaldehyde
CID 107305984
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidine-4-carbaldehyde
CID 107305985
1-[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanone
CID 113943896
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59258510
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 59433760
1-(5-Piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-one
CID 89752796
1-[1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]ethanone
CID 65268309
1-(3-Propyl-1,2,4-thiadiazol-5-yl)piperidin-4-one
CID 65272113

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one (CID 107304546) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one is O=C1CCCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one?
The InChIKey is XCCNFGULBPOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3OS/c9-8(10,11)6-12-7(16-13-6)14-3-1-2-5(15)4-14/h1-4H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one has a molecular weight of 251.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-one is sourced from PubChem (CID 107304546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).