| CAS Number | 626209-94-7 |
| Catalog Number | AG01B9RH |
| Chemical Name | N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylbutanamide |
| IUPAC Name | N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylbutanamide |
| InChI | InChI=1S/C12H20N2OS/c1-8(2)6-10(15)14-11-13-9(7-16-11)12(3,4)5/h7-8H,6H2,1-5H3,(H,13,14,15) |
| InChI Key | USEFZEAYXDKSQR-UHFFFAOYSA-N |
| MDL Number | MFCD03744414 |
| Molecular Formula | C12H20N2OS |
| Molecular Weight | 240.3650 |
| SMILES | CC(CC(NC1SC=C(C(C)(C)C)N=1)=O)C |
| Synonyms | N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylbutanamide,
626209-94-7,
BAS 05448277,
AC1LH54Y,
SCHEMBL77898,
ZINC412589,
AKOS000669852,
MCULE-6843937992,
N-(4-tert-Butyl-thiazol-2-yl)-3-methyl-butyramide,
Z29952442,
CID857039,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.13g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.365g/mol |
| Monoisotopic Mass | 240.13g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number