| CAS Number | 937628-92-7 |
| Catalog Number | AG019KV7 |
| Chemical Name | 5-[4-(Trifluoromethoxy)benzyl]-1,3-thiazol-2-amine |
| IUPAC Name | 5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine |
| InChI | InChI=1S/C11H9F3N2OS/c12-11(13,14)17-8-3-1-7(2-4-8)5-9-6-16-10(15)18-9/h1-4,6H,5H2,(H2,15,16) |
| InChI Key | SRWPNXNORWHNNM-UHFFFAOYSA-N |
| MDL Number | MFCD09051007 |
| Molecular Formula | C11H9F3N2OS |
| Molecular Weight | 274.2622 |
| SMILES | NC1SC(CC2=CC=C(OC(F)(F)F)C=C2)=CN=1 |
| Synonyms | 5-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-thiazol-2-amine,
937628-92-7,
5-[4-(trifluoromethoxy)benzyl]-1,3-thiazol-2-amine,
AC1Q52V4,
CTK7E1152,
SBB084135,
ZINC12505780,
AKOS000134278,
MCULE-4456893821,
NE21326,
EN300-28592,
Z235362591,
5-{[4-(trifluoromethoxy)phenyl]methyl}-1,3-thiazole-2-ylamine,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.261g/mol |
| Monoisotopic Mass | 274.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number