| CAS Number | 23223-88-3 |
| Catalog Number | AG019KWL |
| Chemical Name | 4-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}aniline |
| IUPAC Name | 4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)aniline |
| InChI | InChI=1S/C12H13N3S/c13-10-4-2-9(3-5-10)11-8-16-12-14-6-1-7-15(11)12/h2-5,8H,1,6-7,13H2 |
| InChI Key | HKHQYOYARXWQJY-UHFFFAOYSA-N |
| MDL Number | MFCD09703264 |
| Molecular Formula | C12H13N3S |
| Molecular Weight | 231.3167 |
| SMILES | NC1=CC=C(C2N3C(=NCCC3)SC=2)C=C1 |
| Synonyms | 4-{5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}aniline,
23223-88-3,
4-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)aniline,
AC1Q51UM,
CTK7D7299,
ZINC11851242,
AKOS009143106,
MCULE-3896973777,
NE36939,
NCGC00338894-01,
EN300-28808,
AB01148714-03,
Z235362211,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.317g/mol |
| Monoisotopic Mass | 231.083g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number