2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole

C13H13F3N4S — CID 166104096

IUPAC2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(C3CCCNC3)s2)cn1
InChIInChI=1S/C13H13F3N4S/c14-13(15,16)10-4-3-9(7-18-10)12-20-19-11(21-12)8-2-1-5-17-6-8/h3-4,7-8,17H,1-2,5-6H2
InChIKeyWQAVGQKULIFJCL-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.09
Rot. Bonds2

About 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole

2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole (PubChem CID 166104096) has the molecular formula C13H13F3N4S and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
PubChem CID166104096
Molecular FormulaC13H13F3N4S
Molecular Weight314.34 g/mol
Exact Mass314.08
IUPAC Name2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(C3CCCNC3)s2)cn1
InChIInChI=1S/C13H13F3N4S/c14-13(15,16)10-4-3-9(7-18-10)12-20-19-11(21-12)8-2-1-5-17-6-8/h3-4,7-8,17H,1-2,5-6H2
InChIKeyWQAVGQKULIFJCL-UHFFFAOYSA-N
XLogP3.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate
CID 166104127
2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 58315615
2-(azetidin-3-yl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 105490005
2-tert-butyl-5-piperidin-3-ylpyridine
CID 134595467
2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115042250
5-cyclobutyl-2-(trifluoromethyl)pyridine
CID 167467785
5-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)pyridine
CID 97289984
5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
CID 83849509
5-cyclohexyl-2-(trifluoromethyl)pyridine
CID 138976575
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82176640
2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole
CID 82481560

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole?
The IUPAC name of 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole (CID 166104096) is 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole is FC(F)(F)c1ccc(-c2nnc(C3CCCNC3)s2)cn1.
What is the InChIKey of 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole?
The InChIKey is WQAVGQKULIFJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4S/c14-13(15,16)10-4-3-9(7-18-10)12-20-19-11(21-12)8-2-1-5-17-6-8/h3-4,7-8,17H,1-2,5-6H2.
What are the key properties of 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole?
2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole has a molecular weight of 314.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole is sourced from PubChem (CID 166104096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).