RefMet Compound Details

RefMet IDRM0137465
MW structure71634 (View MW Metabolite Database details)
RefMet name5-Acetyl-4-methylthiazole
Systematic name1-(4-methylthiazol-5-yl)ethanone
SMILESCc1c(C(=O)C)scn1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass141.024836 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H7NOSView other entries in RefMet with this formula
InChIInChI=1S/C6H7NOS/c1-4-6(5(2)8)9-3-7-4/h3H,1-2H3
InChIKeyMBLHLRLBSIWLMG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic oxygen compounds
Main ClassCarbonyl compounds
Sub ClassAryl alkyl ketones
Pubchem CID162292
ChEBI ID166503
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo