thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C12H12F3N5O2S — CID 129345359

IUPACthiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1csnn1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C12H12F3N5O2S/c13-12(14,15)5-9-17-18-10(22-9)8-3-1-2-4-20(8)11(21)7-6-23-19-16-7/h6,8H,1-5H2/t8-/m1/s1
InChIKeyNPMCTCXXZSIZIO-MRVPVSSYSA-N
MW347.32 g/mol
LogP2.39
Rot. Bonds3

About thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129345359) has the molecular formula C12H12F3N5O2S and a molecular weight of 347.32 g/mol. Its IUPAC name is thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namethiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID129345359
Molecular FormulaC12H12F3N5O2S
Molecular Weight347.32 g/mol
Exact Mass347.07
IUPAC Namethiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1csnn1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C12H12F3N5O2S/c13-12(14,15)5-9-17-18-10(22-9)8-3-1-2-4-20(8)11(21)7-6-23-19-16-7/h6,8H,1-5H2/t8-/m1/s1
InChIKeyNPMCTCXXZSIZIO-MRVPVSSYSA-N
XLogP2.39
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657882
2-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
CID 128991937
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(thiadiazol-4-yl)methanone
CID 94645487
3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65214242
[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 80676172
tert-butyl (2S)-2-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 166545118
[(2R)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125023784
(4-methylphenyl)-[(2S)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 124968761
piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 65216605
[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 92632709
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
(5-ethylthiophen-3-yl)-[2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 155900871

Frequently Asked Questions

What is the IUPAC name of thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 129345359) is thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1csnn1)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1.
What is the InChIKey of thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is NPMCTCXXZSIZIO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12F3N5O2S/c13-12(14,15)5-9-17-18-10(22-9)8-3-1-2-4-20(8)11(21)7-6-23-19-16-7/h6,8H,1-5H2/t8-/m1/s1.
What are the key properties of thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 347.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-4-yl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129345359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).