| CAS Number | 1155612-86-4 |
| Catalog Number | AG019S23 |
| Chemical Name | N-pentyl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine |
| IUPAC Name | N-pentyl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine |
| InChI | InChI=1S/C14H20N2S/c1-2-3-7-10-15-14-16-11-13(17-14)12-8-5-4-6-9-12/h4-6,8-9,13H,2-3,7,10-11H2,1H3,(H,15,16) |
| InChI Key | ZDGAJSJAPAAADE-UHFFFAOYSA-N |
| MDL Number | MFCD12411117 |
| Molecular Formula | C14H20N2S |
| Molecular Weight | 248.3870 |
| SMILES | CCCCCNC1SC(C2=CC=CC=C2)CN=1 |
| Synonyms | N-pentyl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine,
1155612-86-4,
AKOS005831170,
MCULE-5703663114,
NE45041,
EN300-91490,
Z1262328268,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.388g/mol |
| Monoisotopic Mass | 248.135g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number