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CHEBI:228498 - 5-(2-chlorophenyl)-3-morpholinoisothiazole-4-carbonitrile

ChEBI IDCHEBI:228498
ChEBI Name5-(2-chlorophenyl)-3-morpholinoisothiazole-4-carbonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12ClN3OS
Net Charge0
Average Mass305.790
Monoisotopic Mass305.03896
SMILESN#Cc1c(N2CCOCC2)nsc1-c1ccccc1Cl
InChIInChI=1S/C14H12ClN3OS/c15-12-4-2-1-3-10(12)13-11(9-16)14(17-20-13)18-5-7-19-8-6-18/h1-4H,5-8H2
InChIKeyXRXRGTCIAHHONR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5-(2-chlorophenyl)-3-morpholinoisothiazole-4-carbonitrile (CHEBI:228498) is a dialkylarylamine (CHEBI:23665)
5-(2-chlorophenyl)-3-morpholinoisothiazole-4-carbonitrile (CHEBI:228498) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
5-(2-chlorophenyl)-3-morpholin-4-yl-1,2-thiazole-4-carbonitrile
Manual XrefsDatabases
2102667ChemSpider