| CAS Number | 438457-11-5 |
| Catalog Number | AG019HNP |
| Chemical Name | N-{4-[4-(butan-2-yl)phenyl]-1,3-thiazol-2-yl}-2-chloroacetamide |
| IUPAC Name | N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide |
| InChI | InChI=1S/C15H17ClN2OS/c1-3-10(2)11-4-6-12(7-5-11)13-9-20-15(17-13)18-14(19)8-16/h4-7,9-10H,3,8H2,1-2H3,(H,17,18,19) |
| InChI Key | VKAVIHUIDOZMNU-UHFFFAOYSA-N |
| MDL Number | MFCD02174289 |
| Molecular Formula | C15H17ClN2OS |
| Molecular Weight | 308.8263 |
| SMILES | CCC(C1=CC=C(C2N=C(NC(CCl)=O)SC=2)C=C1)C |
| Synonyms | N-{4-[4-(butan-2-yl)phenyl]-1,3-thiazol-2-yl}-2-chloroacetamide,
438457-11-5,
N-[4-(4-sec-Butyl-phenyl)-thiazol-2-yl]-2-chloro-acetamide,
AC1MWNY5,
AC1Q2S3M,
CTK6C8080,
N-[4-(4-sec-butylphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide,
STL169660,
AKOS001073741,
AKOS016880086,
MCULE-2040161020,
NE12047,
EN300-04145,
AK-968/40390817,
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide,
ZINC00370048,
CID3777220,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.824g/mol |
| Monoisotopic Mass | 308.075g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number