| CAS Number | 545372-74-5 |
| Catalog Number | AG019ISP |
| Chemical Name | 2-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide |
| IUPAC Name | 2-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide |
| InChI | InChI=1S/C14H13N3OS/c1-2-10-3-5-11(6-4-10)12-9-19-14(16-12)17-13(18)7-8-15/h3-6,9H,2,7H2,1H3,(H,16,17,18) |
| InChI Key | PUGUZEMBITVCIG-UHFFFAOYSA-N |
| MDL Number | MFCD03389928 |
| Molecular Formula | C14H13N3OS |
| Molecular Weight | 271.3375 |
| SMILES | CCC1=CC=C(C2N=C(NC(CC#N)=O)SC=2)C=C1 |
| Synonyms | 2-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide,
545372-74-5,
EN300-07618,
AC1Q2TFZ,
AC1N94TS,
CTK7C9517,
ZINC3887028,
STL193348,
AKOS003800623,
MCULE-6219409692,
NE18232,
Z90123549,
ZINC03887028,
CID4404983,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.338g/mol |
| Monoisotopic Mass | 271.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number