TL;DR: (5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one (CAS 1198098-03-1) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-amino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
Also Known As: (5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one, L-2876, (Z)-5-(3,4-Dimethoxybenzylidene)-2-iminothiazolidin-4-one, AB00079401-01, (5Z)-2-amino-5-[(3,4-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one
| Molecular Formula | C12H12N2O3S |
| Molecular Weight | 264.05685 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 99.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.05685 Da |
| Heavy Atoms | 18 |
| Complexity | 395.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N=C(S2)N)OC |
| InChIKey | UAAYANCJZUULAF-POHAHGRESA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, (5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one is 1198098-03-1.
The molecular formula of (5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one is C12H12N2O3S.
The molecular weight of (5Z)-2-amino-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one is 264.05685 g/mol.
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