| CAS Number | 146794-75-4 |
| Catalog Number | AG01ARVF(AGN-PC-05OWNG) |
| Chemical Name | 2-(4-Methylpiperazin-1-yl)-1,3-benzothiazol-6-ol |
| IUPAC Name | 2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-ol |
| InChI | InChI=1S/C12H15N3OS/c1-14-4-6-15(7-5-14)12-13-10-3-2-9(16)8-11(10)17-12/h2-3,8,16H,4-7H2,1H3 |
| InChI Key | UJFKIVLGRQRTJL-UHFFFAOYSA-N |
| MDL Number | MFCD11987041 |
| Molecular Formula | C12H15N3OS |
| Molecular Weight | 249.3320 |
| SMILES | CN1CCN(C2SC3=C(C=CC(=C3)O)N=2)CC1 |
| Synonyms | 2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-ol,
146794-75-4,
SCHEMBL3468735,
ZINC26424214,
AKOS005207811,
MCULE-3675805703,
L-3561,
F2182-0155,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.332g/mol |
| Monoisotopic Mass | 249.094g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number