| CAS Number | 1304630-27-0 |
| Catalog Number | AG01EO6Q(AGN-PC-3H4695) |
| Chemical Name | NGP555 |
| IUPAC Name | N-(5-ethyl-2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine |
| InChI | InChI=1S/C23H23FN4S/c1-5-17-10-20(15(3)8-14(17)2)26-23-27-21(12-29-23)18-6-7-22(19(24)9-18)28-11-16(4)25-13-28/h6-13H,5H2,1-4H3,(H,26,27) |
| InChI Key | WDEKUGNKKOGFOA-UHFFFAOYSA-N |
| MDL Number | MFCD28502195 |
| Molecular Formula | C23H23FN4S |
| Molecular Weight | 406.5189 |
| SMILES | CC1=CC(C)=C(CC)C=C1NC2=NC(C3=CC(F)=C(N4C=NC(C)=C4)C=C3)=CS2 |
| UNII | 1XA7T7L527 |
| Synonyms | NGP555,
1304630-27-0,
NGP-555,
UNII-1XA7T7L527,
NGP 555,
1XA7T7L527,
CHEMBL2151100,
SCHEMBL16198584,
BCP25746,
SB17218,
HY-108714,
CS-0030521,
2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-,
N-(5-Ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methylimidazol-1-yl)phenyl)-1,3-thiazol-2-amine,
|
| Complexity | 537 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.523g/mol |
| Monoisotopic Mass | 406.163g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number