2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole

C15H15F3N2OS — CID 69117556

IUPAC2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccccc1OC1CCNCC1c1nccs1
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)11-3-1-2-4-13(11)21-12-5-6-19-9-10(12)14-20-7-8-22-14/h1-4,7-8,10,12,19H,5-6,9H2
InChIKeyJWORNQYCHGUYTQ-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.69
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole (PubChem CID 69117556) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole
PubChem CID69117556
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccccc1OC1CCNCC1c1nccs1
InChIInChI=1S/C15H15F3N2OS/c16-15(17,18)11-3-1-2-4-13(11)21-12-5-6-19-9-10(12)14-20-7-8-22-14/h1-4,7-8,10,12,19H,5-6,9H2
InChIKeyJWORNQYCHGUYTQ-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole (CID 69117556) is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole is FC(F)(F)c1ccccc1OC1CCNCC1c1nccs1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole?
The InChIKey is JWORNQYCHGUYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c16-15(17,18)11-3-1-2-4-13(11)21-12-5-6-19-9-10(12)14-20-7-8-22-14/h1-4,7-8,10,12,19H,5-6,9H2.
What are the key properties of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole?
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole has a molecular weight of 328.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 69117556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).