1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one

C20H13F3N2O2S — CID 38846288

IUPAC1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H13F3N2O2S/c21-20(22,23)13-9-10-18(26)24(11-13)12-19(27)25-14-5-1-3-7-16(14)28-17-8-4-2-6-15(17)25/h1-11H,12H2
InChIKeyTYLJHIQFMUQQJZ-UHFFFAOYSA-N
MW402.40 g/mol
LogP4.70
Rot. Bonds2

About 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one

1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 38846288) has the molecular formula C20H13F3N2O2S and a molecular weight of 402.40 g/mol. Its IUPAC name is 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID38846288
Molecular FormulaC20H13F3N2O2S
Molecular Weight402.40 g/mol
Exact Mass402.06
IUPAC Name1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C20H13F3N2O2S/c21-20(22,23)13-9-10-18(26)24(11-13)12-19(27)25-14-5-1-3-7-16(14)28-17-8-4-2-6-15(17)25/h1-11H,12H2
InChIKeyTYLJHIQFMUQQJZ-UHFFFAOYSA-N
XLogP4.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
2-(4-hydroxypiperidin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 1114039
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2105680
3-amino-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;hydrochloride
CID 146050838
1-[2-(trifluoromethyl)phenothiazin-10-yl]butan-1-one
CID 154359839
2-[2-oxo-3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propyl]isoindole-1,3-dione
CID 71847357
3-bromo-1-phenothiazin-10-ylpropan-1-one
CID 3487991
2-(4-butyltriazol-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 72945530
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 3135459
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 9114915
2-[3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetic acid
CID 3628338
[2-oxo-2-[2-(trifluoromethyl)phenothiazin-10-yl]ethyl] nitrate
CID 90480433

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one (CID 38846288) is 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is TYLJHIQFMUQQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2S/c21-20(22,23)13-9-10-18(26)24(11-13)12-19(27)25-14-5-1-3-7-16(14)28-17-8-4-2-6-15(17)25/h1-11H,12H2.
What are the key properties of 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one?
1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 402.40 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-phenothiazin-10-ylethyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 38846288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).