| CAS Number | 1258651-75-0 |
| Catalog Number | AG01AAE8(AGN-PC-0WO0TE) |
| Chemical Name | 4-methyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H6N4O2S/c1-3-4(7(12)13)14-6(10-3)5-8-2-9-11-5/h2H,1H3,(H,12,13)(H,8,9,11) |
| InChI Key | XZBFQXAAKWSAQM-UHFFFAOYSA-N |
| MDL Number | MFCD17167159 |
| Molecular Formula | C7H6N4O2S |
| Molecular Weight | 210.2131 |
| SMILES | CC1=C(C(O)=O)SC(C2NC=NN=2)=N1 |
| Synonyms | 4-methyl-2-(4H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid,
1258651-75-0,
AC1Q2GFP,
ZINC57218581,
AKOS026726332,
MCULE-3644271600,
NE44157,
EN300-68352,
Z1171978895,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.211g/mol |
| Monoisotopic Mass | 210.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number