TL;DR: N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 780824-78-4) is a chemical compound with molecular formula C24H18FN5O2S2 and molecular weight 491.0886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-{5-[(4-fluorophenyl)methyl](1,3-thiazol-2-yl)}-2-(5-(2-furyl)-4-phenyl(1,2,4 -triazol-3-ylthio))acetamide
| Molecular Formula | C24H18FN5O2S2 |
| Molecular Weight | 491.0886 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.0886 Da |
| Heavy Atoms | 34 |
| Complexity | 665.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F)C5=CC=CO5 |
| InChIKey | HXOBPRKQSPVOMK-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide 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-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 780824-78-4.
The molecular formula of N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C24H18FN5O2S2.
The molecular weight of N-{5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl}-2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 491.0886 g/mol.
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