| CAS Number | 304510-03-0 |
| Catalog Number | AG01A7JI |
| Chemical Name | 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide |
| IUPAC Name | 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide |
| InChI | InChI=1S/C9H7BrN2O2S/c1-5-4-11-9(15-5)12-8(13)6-2-3-7(10)14-6/h2-4H,1H3,(H,11,12,13) |
| InChI Key | PEZPKRCSYQLBMP-UHFFFAOYSA-N |
| MDL Number | MFCD00454533 |
| Molecular Formula | C9H7BrN2O2S |
| Molecular Weight | 287.1331 |
| SMILES | CC1SC(NC(C2OC(Br)=CC=2)=O)=NC=1 |
| Synonyms | 5-bromo-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide,
304510-03-0,
AC1NPWT6,
AC1Q2OH4,
SCHEMBL10253565,
CTK5I7820,
ZINC5509851,
AKOS003791919,
NE47829,
EN300-58930,
Z29325388,
CID5165747,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.131g/mol |
| Monoisotopic Mass | 285.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number