TL;DR: (Z)-N-(3-allyl-6-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CAS 865174-51-2) is a chemical compound with molecular formula C22H19N3O3S and molecular weight 405.11472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: (Z)-N-(3-allyl-6-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide, F1365-0048, 4-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide, 4-(2,5-dioxopyrrolidin-1-yl)-N-[(2Z)-6-methyl-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide
| Molecular Formula | C22H19N3O3S |
| Molecular Weight | 405.11472 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.11472 Da |
| Heavy Atoms | 29 |
| Complexity | 713.0 |
| SMILES | CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)S2)CC=C |
| InChIKey | YFABLLXBNXWOPS-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that (Z)-N-(3-allyl-6-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3-allyl-6-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide. Following Lipinski's Rule of Five, (Z)-N-(3-allyl-6-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide 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-allyl-6-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is 865174-51-2.
The molecular formula of (Z)-N-(3-allyl-6-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is C22H19N3O3S.
The molecular weight of (Z)-N-(3-allyl-6-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is 405.11472 g/mol.
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