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

C14H15F3N4OS — CID 126874992

IUPAC2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(OCC2CCN(c3nncs3)CC2)n1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)11-2-1-3-12(19-11)22-8-10-4-6-21(7-5-10)13-20-18-9-23-13/h1-3,9-10H,4-8H2
InChIKeyAZYMQDWZDWQKJF-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.25
Rot. Bonds4

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

2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126874992) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID126874992
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1cccc(OCC2CCN(c3nncs3)CC2)n1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)11-2-1-3-12(19-11)22-8-10-4-6-21(7-5-10)13-20-18-9-23-13/h1-3,9-10H,4-8H2
InChIKeyAZYMQDWZDWQKJF-UHFFFAOYSA-N
XLogP3.25
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 126874992) is 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is FC(F)(F)c1cccc(OCC2CCN(c3nncs3)CC2)n1.
What is the InChIKey of 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is AZYMQDWZDWQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)11-2-1-3-12(19-11)22-8-10-4-6-21(7-5-10)13-20-18-9-23-13/h1-3,9-10H,4-8H2.
What are the key properties of 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 344.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126874992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).