TL;DR: 2-((2-chlorophenyl)amino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one (CAS 109317-54-6) is a chemical compound with molecular formula C15H15ClN2OS and molecular weight 306.05936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloroanilino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
Also Known As: 2-((2-chlorophenyl)amino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one, 2-(2-chloroanilino)-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one, 2-[(2-chlorophenyl)amino]-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one, (2E)-2-[(2-chlorophenyl)imino]-5,5-dimethyl-2,3,5,6-tetrahydro-1,3-benzothiazol-7(4H)-one
| Molecular Formula | C15H15ClN2OS |
| Molecular Weight | 306.05936 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.05936 Da |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)NC3=CC=CC=C3Cl)C |
| InChIKey | QCOATQPTFDZILR-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 2-((2-chlorophenyl)amino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-chlorophenyl)amino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one. Following Lipinski's Rule of Five, 2-((2-chlorophenyl)amino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one has 1 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 2-((2-chlorophenyl)amino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one is 109317-54-6.
The molecular formula of 2-((2-chlorophenyl)amino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one is C15H15ClN2OS.
The molecular weight of 2-((2-chlorophenyl)amino)-5,5-dimethyl-5,6-dihydrobenzo[d]thiazol-7(4H)-one is 306.05936 g/mol.
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