TL;DR: 3-Amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile (CAS 118879-61-1) is a chemical compound with molecular formula C11H11N3S and molecular weight 217.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile
Also Known As: 3-Amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile, BAS 00635061, Thieno[2,3-b]pyridine-2-carbonitrile, 3-amino-4,5,6-trimethyl-, AB00076101-01, AB00076101-04
| Molecular Formula | C11H11N3S |
| Molecular Weight | 217.06737 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.06737 Da |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
| SMILES | CC1=C(C2=C(N=C1C)SC(=C2N)C#N)C |
| InChIKey | DCAJTYVEAQDBII-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 3-Amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile is 118879-61-1.
The molecular formula of 3-Amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile is C11H11N3S.
The molecular weight of 3-Amino-4,5,6-trimethylthieno[2,3-b]pyridine-2-carbonitrile is 217.06737 g/mol.
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