TL;DR: 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea (CAS 1023578-37-1) is a chemical compound with molecular formula C19H16Cl2N4O2S and molecular weight 434.0371 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea
Also Known As: 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea, 3-(2,6-dichlorophenyl)-5-methyl-N-[methyl(phenylcarbamothioyl)amino]-1,2-oxazole-4-carboxamide, (3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-N-(METHYL((PHENYLAMINO)THIOXOMETHYL)AMINO)FORMAMIDE, 1-[[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]-1-methyl-3-phenyl-thiourea, 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenyl-thiourea
| Molecular Formula | C19H16Cl2N4O2S |
| Molecular Weight | 434.0371 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.0371 Da |
| Heavy Atoms | 28 |
| Complexity | 554.0 |
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NN(C)C(=S)NC3=CC=CC=C3 |
| InChIKey | HKYKUSMJVKNHGK-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea has 2 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 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea is 1023578-37-1.
The molecular formula of 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea is C19H16Cl2N4O2S.
The molecular weight of 1-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-1-methyl-3-phenylthiourea is 434.0371 g/mol.
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