TL;DR: (5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione (CAS 372970-21-3) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.08817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-3-tert-butyl-6-hydroxy-5-[(5-methylthiophen-2-yl)methylidene]pyrimidine-2,4(3H,5H)-dione, (Z)-1-(tert-butyl)-5-((5-methylthiophen-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C14H16N2O3S |
| Molecular Weight | 292.08817 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.08817 Da |
| Heavy Atoms | 20 |
| Complexity | 493.0 |
| SMILES | CC1=CC=C(S1)/C=C\2/C(=O)NC(=O)N(C2=O)C(C)(C)C |
| InChIKey | IZXZYAVXAUDDJV-YFHOEESVSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione 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 (5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is 372970-21-3.
The molecular formula of (5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is C14H16N2O3S.
The molecular weight of (5Z)-1-tert-butyl-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione is 292.08817 g/mol.
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