914220-62-5
ETHYL 2-AMINO-4-(4-CYANO)PHENYL THIAZOLE-5-CARBOXYLATE
NameETHYL 2-AMINO-4-(4-CYANO)PHENYL THIAZOLE-5-CARBOXYLATE
pro_formulaC13 H11 N3 O2 S
1Identification
【Name】
ETHYL 2-AMINO-4-(4-CYANO)PHENYL THIAZOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD08704731
【EnglishSynonyms】
【pro_formula】
C13 H11 N3 O2 S
【pro_molWeight】
273.315
【Inchi】
InChI=1S/C13H11N3O2S/c1-2-18-12(17)11-10(16-13(15)19-11)9-5-3-8(7-14)4-6-9/h3-6H,2H2,1H3,(H2,15,16)
【InChIKey】
InChIKey=VPWLHUOWJFMELV-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc(s1)N)c2ccc(cc2)C#N
【MOL File】
ETHYL 2-AMINO-4-(4-C….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 2-AMINO-4-(4-CYANO)PHENYL THIAZOLE-5-CARBOXYLATE.cml