| CAS Number | 232280-96-5 |
| Catalog Number | AG01CA5K |
| Chemical Name | 2-{[(tert-butoxycarbonyl)amino]methyl}-5-methyl-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 5-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H16N2O4S/c1-6-8(9(14)15)13-7(18-6)5-12-10(16)17-11(2,3)4/h5H2,1-4H3,(H,12,16)(H,14,15) |
| InChI Key | SVJXVFJTMBYODT-UHFFFAOYSA-N |
| MDL Number | MFCD17215797 |
| Molecular Formula | C11H16N2O4S |
| Molecular Weight | 272.3207 |
| SMILES | CC1=C(C(O)=O)N=C(CNC(OC(C)(C)C)=O)S1 |
| Synonyms | SCHEMBL5988689,
SVJXVFJTMBYODT-UHFFFAOYSA-N,
AKOS034086679,
2-(n-boc-aminomethyl)-5-methylthiazole-4-carboxylic acid,
2-({[(tert-butoxy)carbonyl]amino}methyl)-5-methyl-1,3-thiazole-4-carboxylic acid,
232280-96-5,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.319g/mol |
| Monoisotopic Mass | 272.083g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number