209732-46-7
2-AMINO-4-(3-CYANOPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
Name2-AMINO-4-(3-CYANOPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
2-AMINO-4-(3-CYANOPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD11220837
【English Synonyms】
【Formula】
C13 H11 N3 O2 S
【MolWeight】
273.315
【Inchi】
InChI=1S/C13H11N3O2S/c1-2-18-12(17)11-10(16-13(15)19-11)9-5-3-4-8(6-9)7-14/h3-6H,2H2,1H3,(H2,15,16)
【InChIKey】
InChIKey=UAKKTFSLVOZGHF-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc(s1)N)c2cccc(c2)C#N
【MOL File】
2-AMINO-4-(3-CYANOPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-4-(3-CYANOPHENYL)-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER.cml