TL;DR: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide (CAS 708287-38-1) is a chemical compound with molecular formula C16H13BrN4OS2 and molecular weight 419.9714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: BAS 09687768, N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide, N-[5-(4-Bromo-benzyl)-thiazol-2-yl]-2-(pyrimidin-2-ylsulfanyl)-acetamide, N-[5-(4-bromobenzyl)-1,3-thiazol-2-yl]-2-(pyrimidin-2-ylsulfanyl)acetamide, N-{5-[(4-bromophenyl)methyl](1,3-thiazol-2-yl)}-2-pyrimidin-2-ylthioacetamide
| Molecular Formula | C16H13BrN4OS2 |
| Molecular Weight | 419.9714 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.9714 Da |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
| SMILES | C1=CN=C(N=C1)SCC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br |
| InChIKey | CNDMZCHSWDZZRY-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide. Following Lipinski's Rule of Five, N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide is 708287-38-1.
The molecular formula of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide is C16H13BrN4OS2.
The molecular weight of N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide is 419.9714 g/mol.
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