| CAS Number | 757222-04-1 |
| Catalog Number | AG00G3WP |
| Chemical Name | N-(4-(Chloromethyl)thiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide |
| IUPAC Name | N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| InChI | InChI=1S/C13H10ClF3N2OS/c1-8(20)19(12-18-10(6-14)7-21-12)11-4-2-3-9(5-11)13(15,16)17/h2-5,7H,6H2,1H3 |
| InChI Key | UOVPPNNRTFTOMS-UHFFFAOYSA-N |
| MDL Number | MFCD06342819 |
| Molecular Formula | C13H10ClF3N2OS |
| Molecular Weight | 334.7445 |
| SMILES | CC(N(C1=NC(CCl)=CS1)C2=CC=CC(C(F)(F)F)=C2)=O |
| Synonyms | N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide,
757222-04-1,
AC1M0PIQ,
AC1Q1K7M,
CTK6H6821,
ZINC2619176,
AKOS005199106,
MCULE-1988598098,
NE13163,
EN300-10276,
J-523333,
N-(4-(Chloromethyl)thiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide,
ZINC02619176,
CID2081083,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.741g/mol |
| Monoisotopic Mass | 334.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number