| CAS Number | 196796-85-7 |
| Catalog Number | AG01A9P8(AGN-PC-0MJSJX) |
| Chemical Name | 4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine |
| IUPAC Name | 4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine |
| InChI | InChI=1S/C12H14N2S/c1-10-9-15-12(14-10)13-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,13,14) |
| InChI Key | AHMVYOUUOCOPBZ-UHFFFAOYSA-N |
| MDL Number | MFCD07696128 |
| Molecular Formula | C12H14N2S |
| Molecular Weight | 218.3180 |
| SMILES | CC1N=C(NCCC2=CC=CC=C2)SC=1 |
| Synonyms | 4-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine,
196796-85-7,
AC1PGC8V,
AC1Q2OO0,
ZINC7781608,
AKOS001222449,
MCULE-5662728659,
4-methyl-N-phenethyl-1,3-thiazol-2-amine,
EN300-65730,
ZINC07781608,
CID8895572,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.318g/mol |
| Monoisotopic Mass | 218.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number