TL;DR: 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide (CAS 1005590-41-9) is a chemical compound with molecular formula C14H9BrF2N4O2S and molecular weight 413.95978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
Also Known As: 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide, 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2H-pyrazole-3-carboxamide, 4-bromo-N-{4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl}-1H-pyrazole-3-carboxamide, 4-BROMO-N~3~-{4-[4-(DIFLUOROMETHOXY)PHENYL]-1,3-THIAZOL-2-YL}-1H-PYRAZOLE-3-CARBOXAMIDE
| Molecular Formula | C14H9BrF2N4O2S |
| Molecular Weight | 413.95978 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.95978 Da |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=C(C=NN3)Br)OC(F)F |
| InChIKey | HXTKLWXFYDHLLM-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is 1005590-41-9.
The molecular formula of 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is C14H9BrF2N4O2S.
The molecular weight of 4-bromo-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is 413.95978 g/mol.
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