89933-65-3 Purity
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The molecular formula is C14H16N2O2S.
The synonyms are SCHEMBL17844007 and 899352-49-9.
The molecular weight is 276.36 g/mol.
The IUPAC name is ethyl 2-amino-4-(2,5-dimethylphenyl)-1,3-thiazole-5-carboxylate.
The InChI is InChI=1S/C14H16N2O2S/c1-4-18-13(17)12-11(16-14(15)19-12)10-7-8(2)5-6-9(10)3/h5-7H,4H2,1-3H3,(H2,15,16).
The InChIKey is WMEMRNCQWBGHIB-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C1=C(N=C(S1)N)C2=C(C=CC(=C2)C).
The XLogP3-AA value is 3.5.
The compound has 1 hydrogen bond donor count.
The compound has 4 rotatable bond counts.