| CAS Number | 1249435-27-5 |
| Catalog Number | AG01ABD8 |
| Chemical Name | 5-{6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}-4-methyl-1,3-thiazole |
| IUPAC Name | 5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazole |
| InChI | InChI=1S/C10H7BrN4S/c1-5-8(16-4-13-5)10-14-7-2-6(11)3-12-9(7)15-10/h2-4H,1H3,(H,12,14,15) |
| InChI Key | ZSOZQDBIHDJAGJ-UHFFFAOYSA-N |
| MDL Number | MFCD17977128 |
| Molecular Formula | C10H7BrN4S |
| Molecular Weight | 295.1584 |
| SMILES | CC1=C(C2NC3=C(N=CC(=C3)Br)N=2)SC=N1 |
| Synonyms | 5-{6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}-4-methyl-1,3-thiazole,
1249435-27-5,
AC1Q2GIM,
ZINC43461074,
AKOS010941956,
AKOS023166474,
MCULE-1797941869,
NE30785,
EN300-71290,
Z1245646831,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.158g/mol |
| Monoisotopic Mass | 293.957g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number