| CAS Number | 1000709-51-2 |
| Catalog Number | AG00H95D(AGN-PC-0WRA5T) |
| Chemical Name | 7-Chloro-N-(o-tolyl)thiazolo[5,4-d]pyrimidin-2-amine |
| IUPAC Name | 7-chloro-N-(2-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine |
| InChI | InChI=1S/C12H9ClN4S/c1-7-4-2-3-5-8(7)16-12-17-9-10(13)14-6-15-11(9)18-12/h2-6H,1H3,(H,16,17) |
| InChI Key | ADKHFPHHMLPJAD-UHFFFAOYSA-N |
| MDL Number | MFCD16987530 |
| Molecular Formula | C12H9ClN4S |
| Molecular Weight | 276.7447 |
| SMILES | Cc1ccccc1Nc1sc2c(n1)c(Cl)ncn2 |
| Synonyms | 1000709-51-2,
7-chloro-N-o-tolylthiazolo[5,4-d]pyrimidin-2-amine,
7-Chloro-N-(o-tolyl)thiazolo[5,4-d]pyrimidin-2-amine,
(7-chloro-thiazolo[5,4-d]pyrimidin-2-yl)-o-tolyl-amine,
SCHEMBL4016653,
ZINC71257062,
BP-20003,
OR322943,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.742g/mol |
| Monoisotopic Mass | 276.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number