TL;DR: (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CAS 118464-22-5) is a chemical compound with molecular formula C30H24N4O4S and molecular weight 536.15186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-5-amino-6-cyano-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
Also Known As: (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide, (2Z)-5-amino-6-cyano-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide, (Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxamide
| Molecular Formula | C30H24N4O4S |
| Molecular Weight | 536.15186 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.15186 Da |
| Heavy Atoms | 39 |
| Complexity | 1100.0 |
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=C(C(C(=C3S2)C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)OC)C#N)N |
| InChIKey | QISHHXPBHFKMOJ-JLPGSUDCSA-N |
The XLogP value of 4.7 indicates that (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is 118464-22-5.
The molecular formula of (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is C30H24N4O4S.
The molecular weight of (2Z)-5-amino-6-cyano-2-(4-methoxybenzylidene)-7-(4-methoxyphenyl)-3-oxo-N-phenyl-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is 536.15186 g/mol.
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