| CAS Number | 1105194-96-4 |
| Catalog Number | AG01FM16(AGN-PC-0WCNVH) |
| Chemical Name | 6-ethoxy-N-[(pyridin-2-yl)methyl]-1,3-benzothiazol-2-amine |
| IUPAC Name | 6-ethoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C15H15N3OS/c1-2-19-12-6-7-13-14(9-12)20-15(18-13)17-10-11-5-3-4-8-16-11/h3-9H,2,10H2,1H3,(H,17,18) |
| InChI Key | ARFZRSXNXCGCLJ-UHFFFAOYSA-N |
| MDL Number | MFCD11986749 |
| Molecular Formula | C15H15N3OS |
| Molecular Weight | 285.3641 |
| SMILES | CCOC1=CC2=C(C=C1)N=C(NCC3=NC=CC=C3)S2 |
| Synonyms | 6-ethoxy-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine,
1105194-96-4,
F2146-0318,
ZINC26422449,
AKOS005206674,
MCULE-9953541305,
L-3146,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.365g/mol |
| Monoisotopic Mass | 285.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number