| CAS Number | 364740-29-4 |
| Catalog Number | AG019IDM |
| Chemical Name | [4-(4-Bromo-phenyl)-thiazol-2-yl]-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine |
| IUPAC Name | 4-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine |
| InChI | InChI=1S/C19H19BrN2O2S/c1-23-17-8-3-13(11-18(17)24-2)9-10-21-19-22-16(12-25-19)14-4-6-15(20)7-5-14/h3-8,11-12H,9-10H2,1-2H3,(H,21,22) |
| InChI Key | KSKJRIUWFXTJPH-UHFFFAOYSA-N |
| MDL Number | MFCD03148703 |
| Molecular Formula | C19H19BrN2O2S |
| Molecular Weight | 419.3354 |
| SMILES | COC1=C(OC)C=C(CCNC2SC=C(C3=CC=C(Br)C=C3)N=2)C=C1 |
| Synonyms | 4-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine,
364740-29-4,
[4-(4-Bromo-phenyl)-thiazol-2-yl]-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine,
AC1Q4CKL,
AC1M5W5N,
Oprea1_758201,
CTK8F2489,
ZINC3218372,
STK067818,
AKOS001435305,
MCULE-5810137141,
NE17738,
UPCMLD0ENAT5894519:001,
EN300-06432,
ZINC03218372,
CID2337227,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 418.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.337g/mol |
| Monoisotopic Mass | 418.035g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number