| CAS Number | 1219828-13-3 |
| Catalog Number | AG01AQHP |
| Chemical Name | 2-(2-(Pyrimidin-2-ylamino)thiazol-4-yl)acetic acid |
| IUPAC Name | 2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C9H8N4O2S/c14-7(15)4-6-5-16-9(12-6)13-8-10-2-1-3-11-8/h1-3,5H,4H2,(H,14,15)(H,10,11,12,13) |
| InChI Key | UFBPFVSHWCAGIQ-UHFFFAOYSA-N |
| MDL Number | MFCD16631839 |
| Molecular Formula | C9H8N4O2S |
| Molecular Weight | 236.2504 |
| SMILES | N1=C(N=CC=C1)NC=1SC=C(N1)CC(=O)O |
| Synonyms | 1219828-13-3,
[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]acetic acid,
2-{2-[(pyrimidin-2-yl)amino]-1,3-thiazol-4-yl}acetic acid,
KS-00003QF5,
ZINC42379503,
AKOS015957390,
MCULE-2711530355,
MS-9550,
2-(4-(Pyrimidin-2-ylamino)-3,5-thiazolyl)acetic acid,
F2158-1499,
2-(4-(Pyrimidin-2-ylamino)-3,5-thiazolyl)acetic acid, 95%,
2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]acetic acid,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.249g/mol |
| Monoisotopic Mass | 236.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number