1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one

C15H14F3N3O2S — CID 72839837

IUPAC1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC1c1nccs1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-6-20(14(10)23)9-12(22)21-7-2-4-11(21)13-19-5-8-24-13/h1,3,5-6,8,11H,2,4,7,9H2
InChIKeyBYHLEXJECORAKR-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 72839837) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID72839837
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC Name1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC1c1nccs1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-6-20(14(10)23)9-12(22)21-7-2-4-11(21)13-19-5-8-24-13/h1,3,5-6,8,11H,2,4,7,9H2
InChIKeyBYHLEXJECORAKR-UHFFFAOYSA-N
XLogP2.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazol-2-ylmethyl)-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72837853
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[3-(1,3-thiazol-2-yl)propyl]acetamide
CID 53562288
1-[2-Oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 86890792
2-[1-(4,4,4-Trifluorobutanoyl)pyrrolidin-2-yl]-1,3-thiazole
CID 90653836
1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97268496
1-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97268497
4,4,4-trifluoro-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 100067998
4,4,4-trifluoro-1-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 100067999
5-chloro-3-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 29181943
5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 29181945
5-Chloro-3-{[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]carbonyl}-2-pyridinol
CID 45249592
3-Methyl-1-[1-(1,3-thiazol-2-yl)propyl]pyrrole-2,5-dione
CID 64481897

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one (CID 72839837) is 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC1c1nccs1.
What is the InChIKey of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is BYHLEXJECORAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c16-15(17,18)10-3-1-6-20(14(10)23)9-12(22)21-7-2-4-11(21)13-19-5-8-24-13/h1,3,5-6,8,11H,2,4,7,9H2.
What are the key properties of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 357.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72839837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).