(3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

C14H15F3N4O3S — CID 171558396

IUPAC(3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESCc1nnc(N2C[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)s1
InChIInChI=1S/C14H15F3N4O3S/c1-7-19-20-13(25-7)21-5-8(22)12(23)9(6-21)24-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,22-23H,5-6H2,1H3/t8-,9-,12-/m0/s1
InChIKeyXUHNVXZMIUZTIU-AUTRQRHGSA-N
MW376.36 g/mol
LogP1.25
Rot. Bonds3

About (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol

(3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (PubChem CID 171558396) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
PubChem CID171558396
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC Name(3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
SMILESCc1nnc(N2C[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)s1
InChIInChI=1S/C14H15F3N4O3S/c1-7-19-20-13(25-7)21-5-8(22)12(23)9(6-21)24-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,22-23H,5-6H2,1H3/t8-,9-,12-/m0/s1
InChIKeyXUHNVXZMIUZTIU-AUTRQRHGSA-N
XLogP1.25
TPSA91.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3S,4S,5S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 171557987
(3aS,7S,7aR)-2,2-dimethyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 171558000
(3S,4S,5S)-1-(5-amino-1H-1,2,4-triazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 177776500
(3S,4S,5S)-1-pyridazin-3-yl-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol
CID 178008052
2-[4-[(6-Methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 86803706
2-{[1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methoxy}-6-(trifluoromethyl)pyridine
CID 126874808
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethyl)-5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 167765768
2-Methyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126875968
2-Cyclopropyl-5-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126875971
2-Methyl-6-({1-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methoxy)pyridine
CID 171705107

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The IUPAC name of (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol (CID 171558396) is (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The canonical SMILES for (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is Cc1nnc(N2C[C@H](Oc3cccc(C(F)(F)F)n3)[C@@H](O)[C@@H](O)C2)s1.
What is the InChIKey of (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
The InChIKey is XUHNVXZMIUZTIU-AUTRQRHGSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-7-19-20-13(25-7)21-5-8(22)12(23)9(6-21)24-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,22-23H,5-6H2,1H3/t8-,9-,12-/m0/s1.
What are the key properties of (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol?
(3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol has a molecular weight of 376.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-3,4-diol is sourced from PubChem (CID 171558396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).