2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone

C22H20F3N3O2S — CID 25122716

IUPAC2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C22H20F3N3O2S/c23-22(24,25)19-10-9-15(12-26-19)21-27-17(14-31-21)18-8-4-5-11-28(18)20(29)13-30-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,14,18H,4-5,8,11,13H2/t18-/m1/s1
InChIKeyRDAVNELCVURVQQ-GOSISDBHSA-N
MW447.48 g/mol
LogP5.36
Rot. Bonds5

About 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone

2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 25122716) has the molecular formula C22H20F3N3O2S and a molecular weight of 447.48 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
PubChem CID25122716
Molecular FormulaC22H20F3N3O2S
Molecular Weight447.48 g/mol
Exact Mass447.12
IUPAC Name2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C22H20F3N3O2S/c23-22(24,25)19-10-9-15(12-26-19)21-27-17(14-31-21)18-8-4-5-11-28(18)20(29)13-30-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,14,18H,4-5,8,11,13H2/t18-/m1/s1
InChIKeyRDAVNELCVURVQQ-GOSISDBHSA-N
XLogP5.36
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone (CID 25122716) is 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
The InChIKey is RDAVNELCVURVQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20F3N3O2S/c23-22(24,25)19-10-9-15(12-26-19)21-27-17(14-31-21)18-8-4-5-11-28(18)20(29)13-30-16-6-2-1-3-7-16/h1-3,6-7,9-10,12,14,18H,4-5,8,11,13H2/t18-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 447.48 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2R)-2-[2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 25122716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).