TL;DR: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (CAS 1005586-26-4) is a chemical compound with molecular formula C14H16ClF3N4OS3 and molecular weight 444.0127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
Also Known As: N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide, (3,5-dimethylthioisothiazol-4-yl)-N-{3-[4-chloro-5-methyl-3-(trifluoromethyl)p yrazolyl]propyl}carboxamide, N-{3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide, N-{3-[4-CHLORO-5-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]PROPYL}-3,5-BIS(METHYLSULFANYL)-4-ISOTHIAZOLECARBOXAMIDE
| Molecular Formula | C14H16ClF3N4OS3 |
| Molecular Weight | 444.0127 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.0127 Da |
| Heavy Atoms | 26 |
| Complexity | 491.0 |
| SMILES | CC1=C(C(=NN1CCCNC(=O)C2=C(SN=C2SC)SC)C(F)(F)F)Cl |
| InChIKey | HTSNSSIORMDUQH-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide. Following Lipinski's Rule of Five, N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is 1005586-26-4.
The molecular formula of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is C14H16ClF3N4OS3.
The molecular weight of N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is 444.0127 g/mol.
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