TL;DR: 1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile (CAS 106833-28-7) is a chemical compound with molecular formula C17H10N4OS and molecular weight 318.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
Also Known As: 1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile, 1-amino-3-(furan-2-yl)-3H-benzo[4,5]thiazolo[3,2-a]pyridine-2,4-dicarbonitrile
| Molecular Formula | C17H10N4OS |
| Molecular Weight | 318.05753 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.05753 Da |
| Heavy Atoms | 23 |
| Complexity | 694.0 |
| SMILES | C1=CC=C2C(=C1)N3C(=C(C(C(=C3S2)C#N)C4=CC=CO4)C#N)N |
| InChIKey | FSBJZAMEDDARSA-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile. Following Lipinski's Rule of Five, 1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile is 106833-28-7.
The molecular formula of 1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile is C17H10N4OS.
The molecular weight of 1-amino-3-(furan-2-yl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile is 318.05753 g/mol.
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