TL;DR: 1-(1,3-Dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea (CAS 1005607-55-5) is a chemical compound with molecular formula C15H19N5O2S and molecular weight 333.12595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea
Also Known As: 1-(1,3-dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea, N-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(2-methylphenoxy)acetyl]hydrazinecarbothioamide, N-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-[2-(2-METHYLPHENOXY)ACETYL]-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C15H19N5O2S |
| Molecular Weight | 333.12595 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.12595 Da |
| Heavy Atoms | 23 |
| Complexity | 423.0 |
| SMILES | CC1=CC=CC=C1OCC(=O)NNC(=S)NC2=CN(N=C2C)C |
| InChIKey | GTIBCTSNSFMZIA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea. Following Lipinski's Rule of Five, 1-(1,3-Dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea has 3 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-(1,3-Dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea is 1005607-55-5.
The molecular formula of 1-(1,3-Dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea is C15H19N5O2S.
The molecular weight of 1-(1,3-Dimethylpyrazol-4-yl)-3-[[2-(2-methylphenoxy)acetyl]amino]thiourea is 333.12595 g/mol.
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