TL;DR: 3-Amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile (CAS 117377-62-5) is a chemical compound with molecular formula C8H10N4OS and molecular weight 210.05753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile
Also Known As: 3-amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile, 3-amino-5-(morpholin-4-yl)-1,2-thiazole-4-carbonitrile, 3-Amino-5-morpholinoisothiazole-4-carbonitrile
| Molecular Formula | C8H10N4OS |
| Molecular Weight | 210.05753 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.05753 Da |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
| SMILES | C1COCCN1C2=C(C(=NS2)N)C#N |
| InChIKey | KSRBLBBUNSWIOY-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile 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 3-Amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile is 117377-62-5.
The molecular formula of 3-Amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile is C8H10N4OS.
The molecular weight of 3-Amino-5-morpholin-4-yl-1,2-thiazole-4-carbonitrile is 210.05753 g/mol.
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