| CAS Number | 41450-33-3 |
| Catalog Number | AG00I83L(AGN-PC-0WR1B8) |
| Chemical Name | Ethyl 2-(2-amino-5-nitrophenyl)-4-methylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(2-amino-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C13H13N3O4S/c1-3-20-13(17)11-7(2)15-12(21-11)9-6-8(16(18)19)4-5-10(9)14/h4-6H,3,14H2,1-2H3 |
| InChI Key | ASHVHIIHZOANMU-UHFFFAOYSA-N |
| MDL Number | MFCD28166178 |
| Molecular Formula | C13H13N3O4S |
| Molecular Weight | 307.325 |
| SMILES | S1C(C(OCC)=O)=C(C)N=C1C1C=C([N+]([O-])=O)C=CC=1N |
| Synonyms | 41450-33-3,
Ethyl 2-(2-amino-5-nitrophenyl)-4-methylthiazole-5-carboxylate,
AKOS027440256,
ZINC219036106,
2-(2-Amino-5-nitrophenyl)-4-methylthiazole-5-carboxylic acid ethyl ester,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.324g/mol |
| Monoisotopic Mass | 307.063g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 139A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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