2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole

C14H15F3N4OS — CID 137337107

IUPAC2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)C1CCN(c2nnc(CSc3ccncc3)o2)CC1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)10-3-7-21(8-4-10)13-20-19-12(22-13)9-23-11-1-5-18-6-2-11/h1-2,5-6,10H,3-4,7-9H2
InChIKeyDGYAJYCYRDNMIJ-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.54
Rot. Bonds4

About 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole

2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole (PubChem CID 137337107) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole
PubChem CID137337107
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole
SMILESFC(F)(F)C1CCN(c2nnc(CSc3ccncc3)o2)CC1
InChIInChI=1S/C14H15F3N4OS/c15-14(16,17)10-3-7-21(8-4-10)13-20-19-12(22-13)9-23-11-1-5-18-6-2-11/h1-2,5-6,10H,3-4,7-9H2
InChIKeyDGYAJYCYRDNMIJ-UHFFFAOYSA-N
XLogP3.54
TPSA55.05 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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole (CID 137337107) is 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole is FC(F)(F)C1CCN(c2nnc(CSc3ccncc3)o2)CC1.
What is the InChIKey of 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole?
The InChIKey is DGYAJYCYRDNMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c15-14(16,17)10-3-7-21(8-4-10)13-20-19-12(22-13)9-23-11-1-5-18-6-2-11/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole?
2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole has a molecular weight of 344.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylsulfanylmethyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 137337107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).