TP0427736

Chemical Information
an ALK5 inhibitor; structure in first source
| CAS Number | 864374-00-5 |
| PubChem CID | 136105618 |
| IUPAC Name | 6-[5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-4-yl]-1,3-benzothiazole |
| Molecular Formula | C14H10N4S2 |
| Molecular Weight | 298.4 |
| XLogP | 3.3 |
| Topological Polar Surface Area | 111 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 356 |
| Property | Value |
|---|---|
| Molecular Weight | 298.4 |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 298.03468868 |
| Monoisotopic Mass | 298.03468868 |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 356 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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