TL;DR: 2-(1,3-thiazol-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione (CAS 1166390-81-3) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-thiazol-2-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
Also Known As: 2-(1,3-thiazol-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione, 4-(1,3-thiazol-2-yl)-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione, (3aR,4S,4aS,5aR,6R,6aS)-2-(thiazol-2-yl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione, 2-(thiazol-2-yl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
| Molecular Formula | C14H12N2O2S |
| Molecular Weight | 272.06195 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.06195 Da |
| Heavy Atoms | 19 |
| Complexity | 484.0 |
| SMILES | C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=NC=CS5 |
| InChIKey | SJJBWGGLFGERET-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-thiazol-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-thiazol-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione. Following Lipinski's Rule of Five, 2-(1,3-thiazol-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione has 0 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 2-(1,3-thiazol-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is 1166390-81-3.
The molecular formula of 2-(1,3-thiazol-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is C14H12N2O2S.
The molecular weight of 2-(1,3-thiazol-2-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione is 272.06195 g/mol.
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