1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one

C16H16F3N3O2S — CID 86890792

IUPAC1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCCC1c1nccs1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)11-4-5-13(23)21(9-11)10-14(24)22-7-2-1-3-12(22)15-20-6-8-25-15/h4-6,8-9,12H,1-3,7,10H2
InChIKeyKJEHKNQWWWNYSF-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.08
Rot. Bonds3

About 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 86890792) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID86890792
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC Name1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCCC1c1nccs1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)11-4-5-13(23)21(9-11)10-14(24)22-7-2-1-3-12(22)15-20-6-8-25-15/h4-6,8-9,12H,1-3,7,10H2
InChIKeyKJEHKNQWWWNYSF-UHFFFAOYSA-N
XLogP3.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

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Related Compounds

3-amino-1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-6-(1,3-thiazol-2-yl)-4-(trifluoromethyl)pyridin-2-one
CID 88911447
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(1,3-thiazol-2-yl)propanamide
CID 72047873
1-{2-oxo-2-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl}-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72839837
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
6-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one;2,2,2-trifluoroacetic acid
CID 154892022
6-[(2R)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 29181141
6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 29181144
6-{[2-(1,3-Thiazol-2-yl)-1-piperidinyl]carbonyl}-2-pyridinol
CID 45248979
4,6-Dimethyl-3-{[2-(1,3-thiazol-2-yl)-1-piperidinyl]carbonyl}-2-pyridinol
CID 70755324
1-[3-Oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyridin-2-one
CID 72134048
6-Methyl-2-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 72134050

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 86890792) is 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCCC1c1nccs1.
What is the InChIKey of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is KJEHKNQWWWNYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-16(18,19)11-4-5-13(23)21(9-11)10-14(24)22-7-2-1-3-12(22)15-20-6-8-25-15/h4-6,8-9,12H,1-3,7,10H2.
What are the key properties of 1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 371.38 g/mol, XLogP of 3.08, 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)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 86890792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).