| CAS Number | 1000931-44-1 |
| Catalog Number | AG019L2E |
| Chemical Name | 4-Methyl-2-(2,5,6-trimethyl-3-oxo-2,3-dihydropyridazin-4-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C12H13N3O3S/c1-5-6(2)14-15(4)11(16)8(5)10-13-7(3)9(19-10)12(17)18/h1-4H3,(H,17,18) |
| InChI Key | IABJIKOAFMMHHZ-UHFFFAOYSA-N |
| MDL Number | MFCD09863274 |
| Molecular Formula | C12H13N3O3S |
| Molecular Weight | 279.3149 |
| SMILES | CC1=C(C(O)=O)SC(C2C(=O)N(C)N=C(C)C=2C)=N1 |
| Synonyms | 4-methyl-2-(2,5,6-trimethyl-3-oxo-2,3-dihydropyridazin-4-yl)-1,3-thiazole-5-carboxylic acid,
1000931-44-1,
AC1Q407G,
CTK7J1363,
ZINC20281026,
AKOS034166405,
MCULE-7905587095,
NE35679,
EN300-29615,
Z317046480,
|
| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.314g/mol |
| Monoisotopic Mass | 279.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number