2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine

C18H16F3N3OS — CID 56678629

IUPAC2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccccc1OC1CCN(c2nc3ncccc3s2)CC1
InChIInChI=1S/C18H16F3N3OS/c19-18(20,21)13-4-1-2-5-14(13)25-12-7-10-24(11-8-12)17-23-16-15(26-17)6-3-9-22-16/h1-6,9,12H,7-8,10-11H2
InChIKeyWJJKHUYDDQZWEH-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.76
Rot. Bonds3

About 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine

2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 56678629) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
PubChem CID56678629
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccccc1OC1CCN(c2nc3ncccc3s2)CC1
InChIInChI=1S/C18H16F3N3OS/c19-18(20,21)13-4-1-2-5-14(13)25-12-7-10-24(11-8-12)17-23-16-15(26-17)6-3-9-22-16/h1-6,9,12H,7-8,10-11H2
InChIKeyWJJKHUYDDQZWEH-UHFFFAOYSA-N
XLogP4.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.76
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]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine (CID 56678629) is 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine is FC(F)(F)c1ccccc1OC1CCN(c2nc3ncccc3s2)CC1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is WJJKHUYDDQZWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c19-18(20,21)13-4-1-2-5-14(13)25-12-7-10-24(11-8-12)17-23-16-15(26-17)6-3-9-22-16/h1-6,9,12H,7-8,10-11H2.
What are the key properties of 2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine?
2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 379.41 g/mol, XLogP of 4.76, 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]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 56678629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).