| CAS Number | 1421693-22-2 |
| Catalog Number | AG009CHF |
| Chemical Name | CDKI-73 |
| IUPAC Name | 3-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide |
| InChI | InChI=1S/C15H15FN6O2S2/c1-8-13(25-15(18-2)20-8)12-11(16)7-19-14(22-12)21-9-4-3-5-10(6-9)26(17,23)24/h3-7H,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22) |
| InChI Key | GAIOPWBQKZMUNO-UHFFFAOYSA-N |
| MDL Number | MFCD28386217 |
| Molecular Formula | C15H15FN6O2S2 |
| Molecular Weight | 394.4470 |
| SMILES | CNC1=NC(C)=C(C2=C(F)C=NC(NC3=CC(S(=O)(N)=O)=CC=C3)=N2)S1 |
| Synonyms | 3-(5-fluoro-4-(4-methyl-2-(methylamino)thiazol-5-yl)pyrimidin-2-ylamino)benzenesulfonamide,
CDKI-73,
LS-007,
CDKI-73,
1421693-22-2,
CHEMBL2347597,
SCHEMBL15525128,
GAIOPWBQKZMUNO-UHFFFAOYSA-N,
EX-A2385,
BDBM50431360,
ZINC95605236,
AKOS030526509,
CS-3953,
HY-12445,
3-((5-fluoro-4-(4-methyl-2-(methylamino)thiazol-5-yl)pyrimidin-2-yl)amino)benzenesulfonamide,
3-(5-Fluoro-4-(4-methyl-2-(methylamino)thiazol-5-yl)pyrimidin-2-ylamino)benzene sulfonamide,
3-[[5-fluoro-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide,
|
| Complexity | 577 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.443g/mol |
| Monoisotopic Mass | 394.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number