CHEBI:123179 - 2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3H-thiazole-5-carboxaldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3H-thiazole-5-carboxaldehyde
ChEBI ID CHEBI:123179
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H13N2O2S
Net Charge +1
Average Mass 249.310
Monoisotopic Mass 249.06923
InChI InChI=1S/C12H12N2O2S/c1-8(2)9-3-5-14(6-4-9)11-10(7-15)17-12(16)13-11/h3-8H,1-2H3/p+1
InChIKey BDXWHICFUGOXGI-UHFFFAOYSA-O
SMILES CC(C)C1=CC=[N+](C=C1)C2=C(SC(=O)N2)C=O
ChEBI Ontology
Outgoing 2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3H-thiazole-5-carboxaldehyde (CHEBI:123179) is a arenecarbaldehyde (CHEBI:33855)
Manual Xref Database
LSM-34621 LINCS
View more database links