TL;DR: 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide (CAS 1005669-97-5) is a chemical compound with molecular formula C33H29N5O3S and molecular weight 575.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
Also Known As: 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide, 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
| Molecular Formula | C33H29N5O3S |
| Molecular Weight | 575.1991 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 575.1991 Da |
| Heavy Atoms | 42 |
| Complexity | 1120.0 |
| SMILES | CC1=C(C(N2C(=O)C(=CC3=C(N(N=C3C)C4=CC=CC=C4)C)SC2=N1)C5=CC=C(C=C5)OC)C(=O)NC6=CC=CC=C6 |
| InChIKey | JDNYHOOOFRHLFY-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide. Following Lipinski's Rule of Five, 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide is 1005669-97-5.
The molecular formula of 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide is C33H29N5O3S.
The molecular weight of 2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-N-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide is 575.1991 g/mol.
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