TL;DR: N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide (CAS 851080-35-8) is a chemical compound with molecular formula C13H11ClN2O3S and molecular weight 310.01788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
Also Known As: F0600-0621, N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide, N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide, N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide, N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-5,6-dihydro-1,4-dioxin-2-carboxamide
| Molecular Formula | C13H11ClN2O3S |
| Molecular Weight | 310.01788 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.01788 Da |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
| SMILES | CC1=C(C=CC2=C1N=C(S2)NC(=O)C3=COCCO3)Cl |
| InChIKey | LEUYRVIPVUQDBF-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide. Following Lipinski's Rule of Five, N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide has 1 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 N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide is 851080-35-8.
The molecular formula of N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide is C13H11ClN2O3S.
The molecular weight of N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamide is 310.01788 g/mol.
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