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

C14H15F3N4OS — CID 86803706

IUPAC2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1cccc(OC2CCN(c3nnc(C(F)(F)F)s3)CC2)n1
InChIInChI=1S/C14H15F3N4OS/c1-9-3-2-4-11(18-9)22-10-5-7-21(8-6-10)13-20-19-12(23-13)14(15,16)17/h2-4,10H,5-8H2,1H3
InChIKeyLSBPZNKZMHALOW-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.31
Rot. Bonds3

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

2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (PubChem CID 86803706) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
PubChem CID86803706
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
SMILESCc1cccc(OC2CCN(c3nnc(C(F)(F)F)s3)CC2)n1
InChIInChI=1S/C14H15F3N4OS/c1-9-3-2-4-11(18-9)22-10-5-7-21(8-6-10)13-20-19-12(23-13)14(15,16)17/h2-4,10H,5-8H2,1H3
InChIKeyLSBPZNKZMHALOW-UHFFFAOYSA-N
XLogP3.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole (CID 86803706) is 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is Cc1cccc(OC2CCN(c3nnc(C(F)(F)F)s3)CC2)n1.
What is the InChIKey of 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
The InChIKey is LSBPZNKZMHALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-9-3-2-4-11(18-9)22-10-5-7-21(8-6-10)13-20-19-12(23-13)14(15,16)17/h2-4,10H,5-8H2,1H3.
What are the key properties of 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole?
2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole has a molecular weight of 344.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 86803706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).