| CAS Number | 1177306-69-2 |
| Catalog Number | AG01AQOU(AGN-PC-0WCNX2) |
| Chemical Name | 7-chloro-4-methyl-N-[(pyridin-4-yl)methyl]-1,3-benzothiazol-2-amine |
| IUPAC Name | 7-chloro-4-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C14H12ClN3S/c1-9-2-3-11(15)13-12(9)18-14(19-13)17-8-10-4-6-16-7-5-10/h2-7H,8H2,1H3,(H,17,18) |
| InChI Key | JDNBMDOAUPLVJJ-UHFFFAOYSA-N |
| MDL Number | MFCD16631691 |
| Molecular Formula | C14H12ClN3S |
| Molecular Weight | 289.7832 |
| SMILES | CC1=C2C(SC(=N2)NCC2=CC=NC=C2)=C(Cl)C=C1 |
| Synonyms | 7-chloro-4-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine,
1177306-69-2,
ZINC34936032,
AKOS015957845,
MCULE-6776785796,
L-3492,
F2146-0574,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.781g/mol |
| Monoisotopic Mass | 289.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number