| CAS Number | 1198319-50-4 |
| Catalog Number | AG01EL63 |
| Chemical Name | 6-bromo-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine |
| IUPAC Name | 6-bromo-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine |
| InChI | InChI=1S/C7H6BrN3OS/c1-12-5-3(8)2-4-6(11-5)13-7(9)10-4/h2H,1H3,(H2,9,10) |
| InChI Key | ZPEHTDHWSSYHKY-UHFFFAOYSA-N |
| MDL Number | MFCD16658716 |
| Molecular Formula | C7H6BrN3OS |
| Molecular Weight | 260.111 |
| SMILES | COC1=C(Br)C=C2C(SC(=N2)N)=N1 |
| Synonyms | Thiazolo[5,4-b]pyridin-2-amine, 6-bromo-5-methoxy-,
1198319-50-4,
SCHEMBL1559583,
ZPEHTDHWSSYHKY-UHFFFAOYSA-N,
6-bromo-5-methoxythiazolo[5,4-b]pyridin-2-amine,
6-bromo-5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.109g/mol |
| Monoisotopic Mass | 258.941g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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