TL;DR: Methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate (CAS 134169-65-6) is a chemical compound with molecular formula C8H10N2O2S2 and molecular weight 230.01837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate
Also Known As: methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate, methyl (E)-3-[4-amino-2-(methylsulfanyl)-1,3-thiazol-5-yl]-2-propenoate, methyl 3-[4-amino-2-(methylsulfanyl)-1,3-thiazol-5-yl]prop-2-enoate
| Molecular Formula | C8H10N2O2S2 |
| Molecular Weight | 230.01837 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.01837 Da |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
| SMILES | COC(=O)C=CC1=C(N=C(S1)SC)N |
| InChIKey | MNQHYTQZAZRJRF-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate 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 Methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate is 134169-65-6.
The molecular formula of Methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate is C8H10N2O2S2.
The molecular weight of Methyl 3-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)prop-2-enoate is 230.01837 g/mol.
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