2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

C15H17F3N6O2S — CID 71798701

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCn1nnnc1SCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H17F3N6O2S/c1-23-14(20-21-22-23)27-9-13(25)24-6-4-11(5-7-24)26-12-3-2-10(8-19-12)15(16,17)18/h2-3,8,11H,4-7,9H2,1H3
InChIKeyZWIDXPZFRDEISM-UHFFFAOYSA-N
MW402.40 g/mol
LogP1.79
Rot. Bonds5

About 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (PubChem CID 71798701) has the molecular formula C15H17F3N6O2S and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
PubChem CID71798701
Molecular FormulaC15H17F3N6O2S
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCn1nnnc1SCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H17F3N6O2S/c1-23-14(20-21-22-23)27-9-13(25)24-6-4-11(5-7-24)26-12-3-2-10(8-19-12)15(16,17)18/h2-3,8,11H,4-7,9H2,1H3
InChIKeyZWIDXPZFRDEISM-UHFFFAOYSA-N
XLogP1.79
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (CID 71798701) is 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is Cn1nnnc1SCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The InChIKey is ZWIDXPZFRDEISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2S/c1-23-14(20-21-22-23)27-9-13(25)24-6-4-11(5-7-24)26-12-3-2-10(8-19-12)15(16,17)18/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone has a molecular weight of 402.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71798701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).