| CAS Number | 871673-04-0 |
| Catalog Number | AG019ORC |
| Chemical Name | 2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile |
| IUPAC Name | 2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile |
| InChI | InChI=1S/C12H11N3OS/c1-16-11-3-2-8(6-9(11)4-5-13)10-7-17-12(14)15-10/h2-3,6-7H,4H2,1H3,(H2,14,15) |
| InChI Key | UWILBORHCWBAPY-UHFFFAOYSA-N |
| MDL Number | MFCD07355753 |
| Molecular Formula | C12H11N3OS |
| Molecular Weight | 245.3002 |
| SMILES | COC1=C(CC#N)C=C(C2N=C(N)SC=2)C=C1 |
| Synonyms | 2-[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile,
871673-04-0,
NE61494,
Z118257498,
ZINC03888922,
CID7064050,
[5-(2-amino-1,3-thiazol-4-yl)-2-methoxyphenyl]acetonitrile,
EN300-14978,
AC1OEVYP,
AC1Q45CF,
CTK8F2540,
ZINC3888922,
AKOS033143828,
MCULE-9749535057,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.3g/mol |
| Monoisotopic Mass | 245.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number