TL;DR: N-[(2E)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylbutanamide (CAS 1009462-13-8) is a chemical compound with molecular formula C18H25N3O3S2 and molecular weight 395.13373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[4-(dimethylamino)phenyl]-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylbutanamide
Also Known As: N-[(2E)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylbutanamide, (Z)-N-(3-(4-(dimethylamino)phenyl)-5,5-dioxidotetrahydrothieno[3,4-d]thiazol-2(3H)-ylidene)-2-methylbutanamide, 4-[4-(dimethylamino)phenyl]-5-(3-methyl-2-oxo-1-azapentylidene)-1,3,4,6,3a,6a- hexahydro-2,6-dithia-4-azapentalene-2,2-dione, N-[3-(4-dimethylaminophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-methylbutanamide
| Molecular Formula | C18H25N3O3S2 |
| Molecular Weight | 395.13373 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.13373 Da |
| Heavy Atoms | 26 |
| Complexity | 664.0 |
| SMILES | CCC(C)C(=O)N=C1N(C2CS(=O)(=O)CC2S1)C3=CC=C(C=C3)N(C)C |
| InChIKey | PGUYIOUTQNSYBR-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2E)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylbutanamide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2E)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylbutanamide. Following Lipinski's Rule of Five, N-[(2E)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylbutanamide has 0 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-[(2E)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylbutanamide is 1009462-13-8.
The molecular formula of N-[(2E)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylbutanamide is C18H25N3O3S2.
The molecular weight of N-[(2E)-3-[4-(dimethylamino)phenyl]-5,5-dioxidotetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-ylidene]-2-methylbutanamide is 395.13373 g/mol.
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