TL;DR: Succinamide, N-allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)- (CAS 107811-33-6) is a chemical compound with molecular formula C12H18N4O2S and molecular weight 282.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-prop-2-enylbutanediamide
Also Known As: Succinamide, N-allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-, N-Allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)succinamide, Butanediamide, N-(5-(1-methylethyl)-1,3,4-thiadiazol-2-yl)-N'-2-propenyl-, N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-prop-2-enylbutanediamide, N~1~-[5-(Propan-2-yl)-1,3,4-thiadiazol-2-yl]-N~4~-(prop-2-en-1-yl)butanediamide
| Molecular Formula | C12H18N4O2S |
| Molecular Weight | 282.11505 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.11505 Da |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
| SMILES | CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NCC=C |
| InChIKey | QVKDOZYBVZRYKD-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Succinamide, N-allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinamide, N-allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-. Following Lipinski's Rule of Five, Succinamide, N-allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Succinamide, N-allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)- is 107811-33-6.
The molecular formula of Succinamide, N-allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)- is C12H18N4O2S.
The molecular weight of Succinamide, N-allyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)- is 282.11505 g/mol.
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