914220-32-9 Purity
96%
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Specification
The molecular formula of Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate is C13H11N3O2S.
Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate was created on 2009-05-28 and last modified on 2023-12-30.
The IUPAC name for Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate is ethyl 2-amino-4-(4-cyanophenyl)-1,3-thiazole-5-carboxylate.
The InChIKey of Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate is VPWLHUOWJFMELV-UHFFFAOYSA-N.
The Canonical SMILES representation of Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate is CCOC(=O)C1=C(N=C(S1)N)C2=CC=C(C=C2)C#N.
The molecular weight of Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate is 273.31 g/mol.
Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate has 1 hydrogen bond donor count.
The XLogP3-AA value of Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate is 2.5.
The topological polar surface area of Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate is 117 Å2.
Yes, Ethyl 2-amino-4-(4-cyano)phenyl thiazole-5-carboxylate is a canonicalized compound.