N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
C121H109F6N31O15S10 — CID 159814298
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 159814298) has the molecular formula C121H109F6N31O15S10 and a molecular weight of 2672.06 g/mol. Its IUPAC name is N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.
Molecular Properties
| Compound Name | N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine |
|---|---|
| PubChem CID | 159814298 |
| Molecular Formula | C121H109F6N31O15S10 |
| Molecular Weight | 2672.06 g/mol |
| Exact Mass | 2669.58 |
| IUPAC Name | N-[2-(1,1-difluoroethoxy)phenyl]-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-N,N-dimethyl-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;1-[4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-5-(trifluoromethyl)phenyl]ethanone;4-methoxy-2-methyl-5-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine |
| SMILES | COc1c(Nc2nc3c(ccc4c3ncn4C)s2)cc(C(C)=O)cc1C(F)(F)F.COc1cc(C)c(C(N)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(F)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(=O)(=O)N(C)C)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c3nc(Nc4ccccc4OC(C)(F)F)sc3ccc21 |
| InChI | InChI=1S/C19H15F3N4O2S.C18H19N5O3S2.C18H17N5O2S.C17H14F2N4OS.C17H16N4O3S2.C16H13FN4OS.C16H15N5O3S2/c1-9(27)10-6-11(19(20,21)22)17(28-3)12(7-10)24-18-25-16-14(29-18)5-4-13-15(16)23-8-26(13)2;1-22(2)28(24,25)11-5-7-14(26-4)12(9-11)20-18-21-17-15(27-18)8-6-13-16(17)19-10-23(13)3;1-9-6-13(25-3)11(7-10(9)17(19)24)21-18-22-16-14(26-18)5-4-12-15(16)20-8-23(12)2;1-17(18,19)24-12-6-4-3-5-10(12)21-16-22-15-13(25-16)8-7-11-14(15)20-9-23(11)2;1-21-9-18-15-12(21)5-7-14-16(15)20-17(25-14)19-11-8-10(26(3,22)23)4-6-13(11)24-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(23-13)19-10-7-9(17)3-5-12(10)22-2;1-21-8-18-14-11(21)4-6-13-15(14)20-16(25-13)19-10-7-9(26(17,22)23)3-5-12(10)24-2/h4-8H,1-3H3,(H,24,25);5-10H,1-4H3,(H,20,21);4-8H,1-3H3,(H2,19,24)(H,21,22);3-9H,1-2H3,(H,21,22);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20)(H2,17,22,23) |
| InChIKey | NLKMOBGCPAUNQH-UHFFFAOYSA-N |
| XLogP | 26.60 |
| TPSA | 555.63 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 183 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2672.06 |
| LogP ≤ 5 | 26.60 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 50 |
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Sources
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