| CAS Number | 1204296-79-6 |
| Catalog Number | AG018MRP(AGN-PC-0WBQ8N) |
| Chemical Name | 2-(piperazin-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazole |
| IUPAC Name | 2-piperazin-1-yl-6-(trifluoromethoxy)-1,3-benzothiazole |
| InChI | InChI=1S/C12H12F3N3OS/c13-12(14,15)19-8-1-2-9-10(7-8)20-11(17-9)18-5-3-16-4-6-18/h1-2,7,16H,3-6H2 |
| InChI Key | IFWQLRCODRPXKE-UHFFFAOYSA-N |
| MDL Number | MFCD16631832 |
| Molecular Formula | C12H12F3N3OS |
| Molecular Weight | 303.3034 |
| SMILES | FC(OC1=CC2=C(N=C(N3CCNCC3)S2)C=C1)(F)F |
| Synonyms | 1204296-79-6,
2-piperazin-1-yl-6-(trifluoromethoxy)-1,3-benzothiazole,
F2158-0856,
2-(piperazin-1-yl)-6-(trifluoromethoxy)benzothiazole,
SCHEMBL8516006,
ZINC36657659,
AKOS015957518,
MCULE-1723914272,
L-4120,
2-(piperazin-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazole,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.303g/mol |
| Monoisotopic Mass | 303.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number