TL;DR: 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl- (CAS 159852-66-1) is a chemical compound with molecular formula C14H10N2OS2 and molecular weight 286.02347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
13,14-dimethyl-8,12-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaen-16-one
Also Known As: 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl-, 2,3-Dimethyl-4H-thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-Dimethyl-4H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]benzothiazol-4-one
| Molecular Formula | C14H10N2OS2 |
| Molecular Weight | 286.02347 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.02347 Da |
| Heavy Atoms | 19 |
| Complexity | 453.0 |
| SMILES | CC1=C(SC2=C1C(=O)N3C4=CC=CC=C4SC3=N2)C |
| InChIKey | NAYLUEQDYIVUPT-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl-. Following Lipinski's Rule of Five, 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl- 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 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl- is 159852-66-1.
The molecular formula of 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl- is C14H10N2OS2.
The molecular weight of 1H-Thieno(2',3':4,5)pyrimido(2,1-b)benzothiazol-4-one, 2,3-dimethyl- is 286.02347 g/mol.
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