TL;DR: (Z)-1-(4-oxo-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide (CAS 1010864-47-7) is a chemical compound with molecular formula C28H29N5O3S and molecular weight 515.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide
Also Known As: (Z)-1-(4-oxo-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide, 1-[(5Z)-4-oxo-5-[[1-phenyl-3-(3-propoxyphenyl)pyrazol-4-yl]methylidene]-1,3-thiazol-2-yl]piperidine-4-carboxamide, 1-[(5Z)-4-oxo-5-{[1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
| Molecular Formula | C28H29N5O3S |
| Molecular Weight | 515.1991 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.1991 Da |
| Heavy Atoms | 37 |
| Complexity | 881.0 |
| SMILES | CCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N=C(S3)N4CCC(CC4)C(=O)N)C5=CC=CC=C5 |
| InChIKey | ZBNOBQMESXSSPE-ULJHMMPZSA-N |
The XLogP value of 4.3 indicates that (Z)-1-(4-oxo-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-1-(4-oxo-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide. Following Lipinski's Rule of Five, (Z)-1-(4-oxo-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (Z)-1-(4-oxo-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide is 1010864-47-7.
The molecular formula of (Z)-1-(4-oxo-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide is C28H29N5O3S.
The molecular weight of (Z)-1-(4-oxo-5-((1-phenyl-3-(3-propoxyphenyl)-1H-pyrazol-4-yl)methylene)-4,5-dihydrothiazol-2-yl)piperidine-4-carboxamide is 515.1991 g/mol.
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