| CAS Number | 1152599-54-6 |
| Catalog Number | AG01AIN4(AGN-PC-0WOCCO) |
| Chemical Name | 4-Methyl-2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C9H9N3O2S/c1-5-7(9(13)14)15-8(11-5)6-3-10-12(2)4-6/h3-4H,1-2H3,(H,13,14) |
| InChI Key | NSJBEOGHKCBXCE-UHFFFAOYSA-N |
| MDL Number | MFCD11207801 |
| Molecular Formula | C9H9N3O2S |
| Molecular Weight | 223.2517 |
| SMILES | CC1=C(C(O)=O)SC(C2=CN(C)N=C2)=N1 |
| Synonyms | 4-methyl-2-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazole-5-carboxylic acid,
1152599-54-6,
ZINC36928993,
AKOS009327965,
MCULE-4292283863,
NE33964,
EN300-78424,
Z1270358383,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.25g/mol |
| Monoisotopic Mass | 223.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number