| CAS Number | 1283109-30-7 |
| Catalog Number | AG01APPU(AGN-PC-0WCNQI) |
| Chemical Name | 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C8H6N4O2S/c13-6(14)5-4-15-8(11-5)12-7-9-2-1-3-10-7/h1-4H,(H,13,14)(H,9,10,11,12) |
| InChI Key | ATSIABWQQQSHQB-UHFFFAOYSA-N |
| MDL Number | MFCD21091744 |
| Molecular Formula | C8H6N4O2S |
| Molecular Weight | 222.2238 |
| SMILES | OC(C1N=C(NC2=NC=CC=N2)SC=1)=O |
| Synonyms | 2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxylic acid,
1283109-30-7,
ZINC61957860,
AKOS015957713,
MCULE-9340726404,
F2145-0338,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.222g/mol |
| Monoisotopic Mass | 222.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number