| CAS Number | 1820704-65-1 |
| Catalog Number | AG01BCAE |
| Chemical Name | Ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate |
| IUPAC Name | ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)15-6(11)12-3/h2H2,1H3,(H2,11,12) |
| InChI Key | QHEFEANTTIMHSI-UHFFFAOYSA-N |
| MDL Number | MFCD29033796 |
| Molecular Formula | C7H7F3N2O2S |
| Molecular Weight | 240.2029 |
| SMILES | CCOC(C1=C(C(F)(F)F)SC(N)=N1)=O |
| Synonyms | ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate,
1820704-65-1,
AKOS033813814,
ZINC238855050,
Z2234185608,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.2g/mol |
| Monoisotopic Mass | 240.018g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number