TL;DR: (E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide (CAS 1164484-70-1) is a chemical compound with molecular formula C13H10ClN3O2S and molecular weight 307.01822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[(5-chloro-2-pyridinyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
Also Known As: AB00111770-01, (2E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide, (E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide, N-{[(5-chloro-2-pyridinyl)amino]carbonothioyl}-3-(2-furyl)acrylamide
| Molecular Formula | C13H10ClN3O2S |
| Molecular Weight | 307.01822 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.01822 Da |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
| SMILES | C1=COC(=C1)/C=C/C(=O)NC(=S)NC2=NC=C(C=C2)Cl |
| InChIKey | ACIWBHNDIAHSSP-GQCTYLIASA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide has 2 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 (E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide is 1164484-70-1.
The molecular formula of (E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide is C13H10ClN3O2S.
The molecular weight of (E)-N-[(5-chloropyridin-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide is 307.01822 g/mol.
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