| CAS Number | 1254694-56-8 |
| Catalog Number | AG01JH3K(AGN-PC-3H6DP7) |
| Chemical Name | 2-Bromo-4-Methylthiazole-5-Carboxamide |
| IUPAC Name | 2-bromo-5-methyl-1,3-thiazole-4-carboxamide |
| InChI | InChI=1S/C5H5BrN2OS/c1-2-3(4(7)9)8-5(6)10-2/h1H3,(H2,7,9) |
| InChI Key | LQFWVKPWECHLJX-UHFFFAOYSA-N |
| MDL Number | MFCD26938020 |
| Molecular Formula | C5H5BrN2OS |
| Molecular Weight | 221.075 |
| SMILES | O=C(C1=C(C)N=C(Br)S1)N |
| Synonyms | 2-Bromo-5-methylthiazole-4-carboxamide,
1025468-14-7,
2-bromo-5-methyl-1,3-thiazole-4-carboxamide,
1254694-56-8,
SCHEMBL2894541,
ZINC95930448,
DA-16206,
AJ-136353,
DB-017411,
FT-0713645,
FT-0739172,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.072g/mol |
| Monoisotopic Mass | 219.931g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number