tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide

C211H179ClN28O37S9 — CID 158841658

IUPACtert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide
SMILESCOc1cc(OCc2cccc(CC(=O)c3csc(-c4cccc(C)c4)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(CC(=O)c3csc(-c4ccccc4Cl)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)OC(C)(C)C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3cccc(C)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3OC)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C33H26N4O5S2.C32H23ClN4O5S2.C30H26N4O6S.2C30H26N4O5S.C29H24N4O5S.C27H28N4O6S/c1-19-6-4-9-22(10-19)31-34-26(18-43-31)27(38)12-20-7-5-8-21(11-20)17-41-28-13-23(39-2)14-29-24(28)15-30(42-29)25-16-37-32(35-25)44-33(36-37)40-3;1-39-20-12-27(22-14-29(42-28(22)13-20)24-15-37-31(35-24)44-32(36-37)40-2)41-16-19-7-5-6-18(10-19)11-26(38)25-17-43-30(34-25)21-8-3-4-9-23(21)33;1-33(28(35)21-10-5-6-11-24(21)37-3)19-9-7-8-18(12-19)17-39-25-13-20(36-2)14-26-22(25)15-27(40-26)23-16-34-29(31-23)41-30(32-34)38-4;1-18-7-5-9-20(11-18)28(35)33(2)21-10-6-8-19(12-21)17-38-25-13-22(36-3)14-26-23(25)15-27(39-26)24-16-34-29(31-24)40-30(32-34)37-4;1-18-8-5-6-11-22(18)28(35)33(2)20-10-7-9-19(12-20)17-38-25-13-21(36-3)14-26-23(25)15-27(39-26)24-16-34-29(31-24)40-30(32-34)37-4;1-32(27(34)19-9-5-4-6-10-19)20-11-7-8-18(12-20)17-37-24-13-21(35-2)14-25-22(24)15-26(38-25)23-16-33-28(30-23)39-29(31-33)36-3;1-27(2,3)37-26(32)30(4)17-9-7-8-16(10-17)15-35-21-11-18(33-5)12-22-19(21)13-23(36-22)20-14-31-24(28-20)38-25(29-31)34-6/h4-11,13-16,18H,12,17H2,1-3H3;3-10,12-15,17H,11,16H2,1-2H3;5-16H,17H2,1-4H3;2*5-16H,17H2,1-4H3;4-16H,17H2,1-3H3;7-14H,15H2,1-6H3
InChIKeyIYHYZQIXSPHIGV-UHFFFAOYSA-N
MW4022.97 g/mol
LogP46.76
Rot. Bonds60

About tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide

tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide (PubChem CID 158841658) has the molecular formula C211H179ClN28O37S9 and a molecular weight of 4022.97 g/mol. Its IUPAC name is tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Nametert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide
PubChem CID158841658
Molecular FormulaC211H179ClN28O37S9
Molecular Weight4022.97 g/mol
Exact Mass4019.02
IUPAC Nametert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide
SMILESCOc1cc(OCc2cccc(CC(=O)c3csc(-c4cccc(C)c4)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(CC(=O)c3csc(-c4ccccc4Cl)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)OC(C)(C)C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3cccc(C)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3OC)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C33H26N4O5S2.C32H23ClN4O5S2.C30H26N4O6S.2C30H26N4O5S.C29H24N4O5S.C27H28N4O6S/c1-19-6-4-9-22(10-19)31-34-26(18-43-31)27(38)12-20-7-5-8-21(11-20)17-41-28-13-23(39-2)14-29-24(28)15-30(42-29)25-16-37-32(35-25)44-33(36-37)40-3;1-39-20-12-27(22-14-29(42-28(22)13-20)24-15-37-31(35-24)44-32(36-37)40-2)41-16-19-7-5-6-18(10-19)11-26(38)25-17-43-30(34-25)21-8-3-4-9-23(21)33;1-33(28(35)21-10-5-6-11-24(21)37-3)19-9-7-8-18(12-19)17-39-25-13-20(36-2)14-26-22(25)15-27(40-26)23-16-34-29(31-23)41-30(32-34)38-4;1-18-7-5-9-20(11-18)28(35)33(2)21-10-6-8-19(12-21)17-38-25-13-22(36-3)14-26-23(25)15-27(39-26)24-16-34-29(31-24)40-30(32-34)37-4;1-18-8-5-6-11-22(18)28(35)33(2)20-10-7-9-19(12-20)17-38-25-13-21(36-3)14-26-23(25)15-27(39-26)24-16-34-29(31-24)40-30(32-34)37-4;1-32(27(34)19-9-5-4-6-10-19)20-11-7-8-18(12-20)17-37-24-13-21(35-2)14-25-22(24)15-26(38-25)23-16-33-28(30-23)39-29(31-33)36-3;1-27(2,3)37-26(32)30(4)17-9-7-8-16(10-17)15-35-21-11-18(33-5)12-22-19(21)13-23(36-22)20-14-31-24(28-20)38-25(29-31)34-6/h4-11,13-16,18H,12,17H2,1-3H3;3-10,12-15,17H,11,16H2,1-2H3;5-16H,17H2,1-4H3;2*5-16H,17H2,1-4H3;4-16H,17H2,1-3H3;7-14H,15H2,1-6H3
InChIKeyIYHYZQIXSPHIGV-UHFFFAOYSA-N
XLogP46.76
TPSA677.07 Ų
H-Bond Donors
H-Bond Acceptors69
Rotatable Bonds60
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004022.97
LogP ≤ 546.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1069

Analyze tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 158080578
2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-(3-methylphenyl)ethanone
CID 147404282
1-(2-chloro-3-methylphenyl)-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone
CID 157494539
2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-(4-methyl-2-phenylpyrimidin-5-yl)ethanone
CID 149066538
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378
1-(3,5-difluorophenyl)-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone
CID 148558042
1-(2,4-difluorophenyl)-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone
CID 158034378
1-(4-iodophenyl)-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone
CID 146703683
[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]methanol
CID 155545221
2-methoxy-6-[6-methoxy-4-[(2-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155544936
2-methoxy-6-[6-methoxy-4-[[3-(2-phenylethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155515625
2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-(6-phenoxy-3-pyridinyl)ethanone
CID 161009723

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide?
The IUPAC name of tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide (CID 158841658) is tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide?
The canonical SMILES for tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide is COc1cc(OCc2cccc(CC(=O)c3csc(-c4cccc(C)c4)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(CC(=O)c3csc(-c4ccccc4Cl)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)OC(C)(C)C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3cccc(C)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(N(C)C(=O)c3ccccc3OC)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.
What is the InChIKey of tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide?
The InChIKey is IYHYZQIXSPHIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O5S2.C32H23ClN4O5S2.C30H26N4O6S.2C30H26N4O5S.C29H24N4O5S.C27H28N4O6S/c1-19-6-4-9-22(10-19)31-34-26(18-43-31)27(38)12-20-7-5-8-21(11-20)17-41-28-13-23(39-2)14-29-24(28)15-30(42-29)25-16-37-32(35-25)44-33(36-37)40-3;1-39-20-12-27(22-14-29(42-28(22)13-20)24-15-37-31(35-24)44-32(36-37)40-2)41-16-19-7-5-6-18(10-19)11-26(38)25-17-43-30(34-25)21-8-3-4-9-23(21)33;1-33(28(35)21-10-5-6-11-24(21)37-3)19-9-7-8-18(12-19)17-39-25-13-20(36-2)14-26-22(25)15-27(40-26)23-16-34-29(31-23)41-30(32-34)38-4;1-18-7-5-9-20(11-18)28(35)33(2)21-10-6-8-19(12-21)17-38-25-13-22(36-3)14-26-23(25)15-27(39-26)24-16-34-29(31-24)40-30(32-34)37-4;1-18-8-5-6-11-22(18)28(35)33(2)20-10-7-9-19(12-20)17-38-25-13-21(36-3)14-26-23(25)15-27(39-26)24-16-34-29(31-24)40-30(32-34)37-4;1-32(27(34)19-9-5-4-6-10-19)20-11-7-8-18(12-20)17-37-24-13-21(35-2)14-25-22(24)15-26(38-25)23-16-33-28(30-23)39-29(31-33)36-3;1-27(2,3)37-26(32)30(4)17-9-7-8-16(10-17)15-35-21-11-18(33-5)12-22-19(21)13-23(36-22)20-14-31-24(28-20)38-25(29-31)34-6/h4-11,13-16,18H,12,17H2,1-3H3;3-10,12-15,17H,11,16H2,1-2H3;5-16H,17H2,1-4H3;2*5-16H,17H2,1-4H3;4-16H,17H2,1-3H3;7-14H,15H2,1-6H3.
What are the key properties of tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide?
tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide has a molecular weight of 4022.97 g/mol, XLogP of 46.76, 60 rotatable bonds, 0 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylcarbamate;1-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]ethanone;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,2-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N,3-dimethylbenzamide;N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide;2-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;2-methoxy-N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 158841658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).