| CAS Number | 737822-96-7 |
| Catalog Number | AG00ICFZ(AGN-PC-03HNJH) |
| Chemical Name | Ethyl 2-(isobutyramido)thiazole-4-carboxylate |
| IUPAC Name | ethyl 2-(2-methylpropanoylamino)-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C10H14N2O3S/c1-4-15-9(14)7-5-16-10(11-7)12-8(13)6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13) |
| InChI Key | DKZVXZMRTPLYGA-UHFFFAOYSA-N |
| MDL Number | MFCD17549658 |
| Molecular Formula | C10H14N2O3S |
| Molecular Weight | 242.2948 |
| SMILES | CCOC(=O)C1=CSC(NC(=O)C(C)C)=N1 |
| Synonyms | Ethyl 2-(isobutyramido)thiazole-4-carboxylate,
737822-96-7,
2-isobutyrylamino-thiazole-4-carboxylic acid ethyl ester,
ETHYL 2-(2-METHYLPROPANAMIDO)-1,3-THIAZOLE-4-CARBOXYLATE,
Ethyl 2-isobutyramidothiazole-4-carboxylate,
SCHEMBL4875411,
DKZVXZMRTPLYGA-UHFFFAOYSA-N,
MFCD17549658,
ZINC48420555,
AKOS016671017,
AS-40920,
ethyl 2-(isobutyrylamino)-1,3-thiazole-4-carboxylate,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.293g/mol |
| Monoisotopic Mass | 242.073g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number