| CAS Number | 262372-91-8 |
| Catalog Number | AG00BFA7 |
| Chemical Name | N-benzyl-4-(4-bromophenyl)thiazol-2-amine |
| IUPAC Name | N-benzyl-4-(4-bromophenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C16H13BrN2S/c17-14-8-6-13(7-9-14)15-11-20-16(19-15)18-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19) |
| InChI Key | DCTOAHONJGFJPY-UHFFFAOYSA-N |
| MDL Number | MFCD01232233 |
| Molecular Formula | C16H13BrN2S |
| Molecular Weight | 345.2568 |
| SMILES | BrC1=CC=C(C2=CSC(NCC3=CC=CC=C3)=N2)C=C1 |
| Synonyms | Benzyl-[4-(4-bromo-phenyl)-thiazol-2-yl]-amine,
N-benzyl-4-(4-bromophenyl)-1,3-thiazol-2-amine,
262372-91-8,
AC1M7RIB,
AC1Q24PO,
CHEMBL3597914,
CTK5I7287,
ZINC3331304,
AKOS001061826,
MCULE-3033156657,
NE24004,
N-Benzyl-4-(4-bromophenyl)thiazol-2-amine,
N-Benzyl-4-(4-bromophenyl)thiazole-2-amine,
benzyl [4-(4-bromophenyl)thiazol-2-yl]amine,
EN300-06445,
J-519825,
ZINC03331304,
CID2447365,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 343.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.258g/mol |
| Monoisotopic Mass | 343.998g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number