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

C16H17F3N2OS — CID 91437308

IUPAC2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(OC2CCN(Cc3nccs3)CC2)cc1
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)12-1-3-13(4-2-12)22-14-5-8-21(9-6-14)11-15-20-7-10-23-15/h1-4,7,10,14H,5-6,8-9,11H2
InChIKeyQZGBNTUHCQSNDI-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.21
Rot. Bonds4

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

2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 91437308) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID91437308
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(OC2CCN(Cc3nccs3)CC2)cc1
InChIInChI=1S/C16H17F3N2OS/c17-16(18,19)12-1-3-13(4-2-12)22-14-5-8-21(9-6-14)11-15-20-7-10-23-15/h1-4,7,10,14H,5-6,8-9,11H2
InChIKeyQZGBNTUHCQSNDI-UHFFFAOYSA-N
XLogP4.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole (CID 91437308) is 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole is FC(F)(F)c1ccc(OC2CCN(Cc3nccs3)CC2)cc1.
What is the InChIKey of 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is QZGBNTUHCQSNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c17-16(18,19)12-1-3-13(4-2-12)22-14-5-8-21(9-6-14)11-15-20-7-10-23-15/h1-4,7,10,14H,5-6,8-9,11H2.
What are the key properties of 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole?
2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 342.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 91437308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).