| CAS Number | 565191-93-7 |
| Catalog Number | AG00ECO8 |
| Chemical Name | 2-Chloro-N-(4-(4-hexylphenyl)thiazol-2-yl)acetamide |
| IUPAC Name | 2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide |
| InChI | InChI=1S/C17H21ClN2OS/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-12-22-17(19-15)20-16(21)11-18/h7-10,12H,2-6,11H2,1H3,(H,19,20,21) |
| InChI Key | PBJGADGELNFTPQ-UHFFFAOYSA-N |
| MDL Number | MFCD03964654 |
| Molecular Formula | C17H21ClN2OS |
| Molecular Weight | 336.8794 |
| SMILES | O=C(NC1=NC(C2=CC=C(CCCCCC)C=C2)=CS1)CCl |
| Synonyms | 2-Chloro-N-[4-(4-hexyl-phenyl)-thiazol-2-yl]-acetamide,
565191-93-7,
2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide,
2-Chloro-N-(4-(4-hexylphenyl)thiazol-2-yl)acetamide,
AC1M5SAP,
AC1Q2VUO,
CTK6D7647,
ZINC3268163,
AKOS008029137,
MCULE-9298636661,
NE12665,
EN300-02075,
J-509127,
ZINC03268163,
CID2384506,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.878g/mol |
| Monoisotopic Mass | 336.106g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number