TL;DR: (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide (CAS 1164457-38-8) is a chemical compound with molecular formula C14H18N2O3S2 and molecular weight 326.0759 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)pentanamide
Also Known As: (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide, F1105-0352, N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)pentanamide, N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]pentanamide, N-[(2Z)-3-methyl-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]pentanamide
| Molecular Formula | C14H18N2O3S2 |
| Molecular Weight | 326.0759 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0759 Da |
| Heavy Atoms | 21 |
| Complexity | 525.0 |
| SMILES | CCCCC(=O)N=C1N(C2=C(S1)C=C(C=C2)S(=O)(=O)C)C |
| InChIKey | LRPUGRUADGIQIL-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide. Following Lipinski's Rule of Five, (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide has 0 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 (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide is 1164457-38-8.
The molecular formula of (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide is C14H18N2O3S2.
The molecular weight of (Z)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)pentanamide is 326.0759 g/mol.
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