1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one

C12H11F3N2O2S — CID 70831614

IUPAC1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one
SMILESCC(=O)c1sc(N2C=CCC(C(F)(F)F)C2=O)nc1C
InChIInChI=1S/C12H11F3N2O2S/c1-6-9(7(2)18)20-11(16-6)17-5-3-4-8(10(17)19)12(13,14)15/h3,5,8H,4H2,1-2H3
InChIKeyMCJLATQERKVATR-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.08
Rot. Bonds2

About 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one

1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one (PubChem CID 70831614) has the molecular formula C12H11F3N2O2S and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one
PubChem CID70831614
Molecular FormulaC12H11F3N2O2S
Molecular Weight304.29 g/mol
Exact Mass304.05
IUPAC Name1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one
SMILESCC(=O)c1sc(N2C=CCC(C(F)(F)F)C2=O)nc1C
InChIInChI=1S/C12H11F3N2O2S/c1-6-9(7(2)18)20-11(16-6)17-5-3-4-8(10(17)19)12(13,14)15/h3,5,8H,4H2,1-2H3
InChIKeyMCJLATQERKVATR-UHFFFAOYSA-N
XLogP3.08
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one?
The IUPAC name of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one (CID 70831614) is 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one is CC(=O)c1sc(N2C=CCC(C(F)(F)F)C2=O)nc1C.
What is the InChIKey of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one?
The InChIKey is MCJLATQERKVATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S/c1-6-9(7(2)18)20-11(16-6)17-5-3-4-8(10(17)19)12(13,14)15/h3,5,8H,4H2,1-2H3.
What are the key properties of 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one?
1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one has a molecular weight of 304.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 70831614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).