| CAS Number | 565209-32-7 |
| Catalog Number | AG019IFZ |
| Chemical Name | N-benzyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine |
| IUPAC Name | N-benzyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C16H13FN2S/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 | BAQWPVJOMKGWEF-UHFFFAOYSA-N |
| MDL Number | MFCD00128393 |
| Molecular Formula | C16H13FN2S |
| Molecular Weight | 284.3512 |
| SMILES | FC1=CC=C(C2N=C(NCC3=CC=CC=C3)SC=2)C=C1 |
| Synonyms | N-benzyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine,
Benzyl-[4-(4-fluoro-phenyl)-thiazol-2-yl]-amine,
565209-32-7,
BAS 05261492,
AC1LL4MC,
AC1Q4M2H,
CTK7C0185,
ZINC792375,
AKOS000667622,
MCULE-4375272679,
NE37503,
EN300-06611,
benzyl [4-(4-fluorophenyl)thiazol-2-yl]amine,
Benzyl-[4-(4-fluorophenyl)-2-thiazolyl]amine,
CID1078636,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.352g/mol |
| Monoisotopic Mass | 284.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number