2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile

C16H14F3N3OS — CID 66696831

IUPAC2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C16H14F3N3OS/c17-16(18,19)13-3-1-2-4-14(13)23-11-5-7-22(8-6-11)15-21-10-12(9-20)24-15/h1-4,10-11H,5-8H2
InChIKeyYRFBHXOKCLVWLK-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.08
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile (PubChem CID 66696831) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile
PubChem CID66696831
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1
InChIInChI=1S/C16H14F3N3OS/c17-16(18,19)13-3-1-2-4-14(13)23-11-5-7-22(8-6-11)15-21-10-12(9-20)24-15/h1-4,10-11H,5-8H2
InChIKeyYRFBHXOKCLVWLK-UHFFFAOYSA-N
XLogP4.08
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile (CID 66696831) is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile?
The InChIKey is YRFBHXOKCLVWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c17-16(18,19)13-3-1-2-4-14(13)23-11-5-7-22(8-6-11)15-21-10-12(9-20)24-15/h1-4,10-11H,5-8H2.
What are the key properties of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile?
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile has a molecular weight of 353.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 66696831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).