| CAS Number | 1311315-89-5 |
| Catalog Number | AG01AGX3(AGN-PC-0WO419) |
| Chemical Name | 2-amino-5-methyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid |
| IUPAC Name | 2-amino-5-methyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid |
| InChI | InChI=1S/C8H7N3O2S/c1-3-2-4(7(12)13)5-6(10-3)11-8(9)14-5/h2H,1H3,(H,12,13)(H2,9,10,11) |
| InChI Key | BSRHQOVLLXGTBF-UHFFFAOYSA-N |
| MDL Number | MFCD18483179 |
| Molecular Formula | C8H7N3O2S |
| Molecular Weight | 209.2251 |
| SMILES | CC1=NC2=C(SC(=N2)N)C(C(O)=O)=C1 |
| Synonyms | 2-amino-5-methyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylic acid,
1311315-89-5,
thiazolo[4,5-b]pyridine-7-carboxylic acid,2-amino-5-methyl-,
ZINC62151927,
AKOS026727389,
MCULE-9907713360,
NE43057,
EN300-73080,
Z1273089253,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.025898g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.23g/mol |
| Monoisotopic Mass | 209.025898g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number