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

C15H17F3N4OS — CID 126874808

IUPAC2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)s1
InChIInChI=1S/C15H17F3N4OS/c1-10-20-21-14(24-10)22-7-5-11(6-8-22)9-23-13-4-2-3-12(19-13)15(16,17)18/h2-4,11H,5-9H2,1H3
InChIKeyQVFBOGKOWCGFHR-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.56
Rot. Bonds4

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

2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 126874808) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID126874808
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC Name2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)s1
InChIInChI=1S/C15H17F3N4OS/c1-10-20-21-14(24-10)22-7-5-11(6-8-22)9-23-13-4-2-3-12(19-13)15(16,17)18/h2-4,11H,5-9H2,1H3
InChIKeyQVFBOGKOWCGFHR-UHFFFAOYSA-N
XLogP3.56
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 126874808) is 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CCC(COc3cccc(C(F)(F)F)n3)CC2)s1.
What is the InChIKey of 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is QVFBOGKOWCGFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-10-20-21-14(24-10)22-7-5-11(6-8-22)9-23-13-4-2-3-12(19-13)15(16,17)18/h2-4,11H,5-9H2,1H3.
What are the key properties of 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 358.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 126874808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).