6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

C194H190F2N30O34S7 — CID 160555001

IUPAC6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESC#Cc1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)cc1.C#Cc1ccc(N2CCC[C@@H](COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)nc1.C#Cc1ccnc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)c1.CCOC(=O)c1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)cc1.COc1cc(OCC2CCCN(c3ccc(C(C)(F)F)cc3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCC2CCCN(c3ccc4c(c3)OCO4)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)c(OC)c1
InChIInChI=1S/C29H30N4O6S.C28H28F2N4O4S.C28H30N4O6S.C28H26N4O4S.2C27H25N5O4S.C27H26N4O6S/c1-4-37-27(34)19-7-9-20(10-8-19)32-11-5-6-18(15-32)17-38-24-12-21(35-2)13-25-22(24)14-26(39-25)23-16-33-28(30-23)40-29(31-33)36-3;1-28(29,30)18-6-8-19(9-7-18)33-10-4-5-17(14-33)16-37-23-11-20(35-2)12-24-21(23)13-25(38-24)22-15-34-26(31-22)39-27(32-34)36-3;1-33-18-7-8-22(26(10-18)35-3)31-9-5-6-17(14-31)16-37-23-11-19(34-2)12-24-20(23)13-25(38-24)21-15-32-27(29-21)39-28(30-32)36-4;1-4-18-7-9-20(10-8-18)31-11-5-6-19(15-31)17-35-24-12-21(33-2)13-25-22(24)14-26(36-25)23-16-32-27(29-23)37-28(30-32)34-3;1-4-17-7-8-25(28-13-17)31-9-5-6-18(14-31)16-35-22-10-19(33-2)11-23-20(22)12-24(36-23)21-15-32-26(29-21)37-27(30-32)34-3;1-4-17-7-8-28-25(10-17)31-9-5-6-18(14-31)16-35-22-11-19(33-2)12-23-20(22)13-24(36-23)21-15-32-26(29-21)37-27(30-32)34-3;1-32-18-9-22(19-11-24(37-23(19)10-18)20-13-31-26(28-20)38-27(29-31)33-2)34-14-16-4-3-7-30(12-16)17-5-6-21-25(8-17)36-15-35-21/h7-10,12-14,16,18H,4-6,11,15,17H2,1-3H3;6-9,11-13,15,17H,4-5,10,14,16H2,1-3H3;7-8,10-13,15,17H,5-6,9,14,16H2,1-4H3;1,7-10,12-14,16,19H,5-6,11,15,17H2,2-3H3;2*1,7-8,10-13,15,18H,5-6,9,14,16H2,2-3H3;5-6,8-11,13,16H,3-4,7,12,14-15H2,1-2H3/t;;;;18-;;/m....1../s1
InChIKeyQYOHWTPGKYSUGJ-SKSUCKENSA-N
MW3748.29 g/mol
LogP38.38
Rot. Bonds54

About 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole

6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 160555001) has the molecular formula C194H190F2N30O34S7 and a molecular weight of 3748.29 g/mol. Its IUPAC name is 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID160555001
Molecular FormulaC194H190F2N30O34S7
Molecular Weight3748.29 g/mol
Exact Mass3745.21
IUPAC Name6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
SMILESC#Cc1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)cc1.C#Cc1ccc(N2CCC[C@@H](COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)nc1.C#Cc1ccnc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)c1.CCOC(=O)c1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)cc1.COc1cc(OCC2CCCN(c3ccc(C(C)(F)F)cc3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCC2CCCN(c3ccc4c(c3)OCO4)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)c(OC)c1
InChIInChI=1S/C29H30N4O6S.C28H28F2N4O4S.C28H30N4O6S.C28H26N4O4S.2C27H25N5O4S.C27H26N4O6S/c1-4-37-27(34)19-7-9-20(10-8-19)32-11-5-6-18(15-32)17-38-24-12-21(35-2)13-25-22(24)14-26(39-25)23-16-33-28(30-23)40-29(31-33)36-3;1-28(29,30)18-6-8-19(9-7-18)33-10-4-5-17(14-33)16-37-23-11-20(35-2)12-24-21(23)13-25(38-24)22-15-34-26(31-22)39-27(32-34)36-3;1-33-18-7-8-22(26(10-18)35-3)31-9-5-6-17(14-31)16-37-23-11-19(34-2)12-24-20(23)13-25(38-24)21-15-32-27(29-21)39-28(30-32)36-4;1-4-18-7-9-20(10-8-18)31-11-5-6-19(15-31)17-35-24-12-21(33-2)13-25-22(24)14-26(36-25)23-16-32-27(29-23)37-28(30-32)34-3;1-4-17-7-8-25(28-13-17)31-9-5-6-18(14-31)16-35-22-10-19(33-2)11-23-20(22)12-24(36-23)21-15-32-26(29-21)37-27(30-32)34-3;1-4-17-7-8-28-25(10-17)31-9-5-6-18(14-31)16-35-22-11-19(33-2)12-23-20(22)13-24(36-23)21-15-32-26(29-21)37-27(30-32)34-3;1-32-18-9-22(19-11-24(37-23(19)10-18)20-13-31-26(28-20)38-27(29-31)33-2)34-14-16-4-3-7-30(12-16)17-5-6-21-25(8-17)36-15-35-21/h7-10,12-14,16,18H,4-6,11,15,17H2,1-3H3;6-9,11-13,15,17H,4-5,10,14,16H2,1-3H3;7-8,10-13,15,17H,5-6,9,14,16H2,1-4H3;1,7-10,12-14,16,19H,5-6,11,15,17H2,2-3H3;2*1,7-8,10-13,15,18H,5-6,9,14,16H2,2-3H3;5-6,8-11,13,16H,3-4,7,12,14-15H2,1-2H3/t;;;;18-;;/m....1../s1
InChIKeyQYOHWTPGKYSUGJ-SKSUCKENSA-N
XLogP38.38
TPSA608.82 Ų
H-Bond Donors
H-Bond Acceptors71
Rotatable Bonds54
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003748.29
LogP ≤ 538.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1071

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

2-methoxy-6-[6-methoxy-4-[[(3R)-1-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 139293044
ethyl 4-[2-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate
CID 139292995
6-[4-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 139293072
6-[4-[[(3S)-1-(4-fluorophenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[2-[[2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-[(1-phenylpiperidin-4-yl)methoxy]-1-benzofuran-6-yl]oxy]ethoxy]imidazo[2,1-b][1,3,4]thiadiazole
CID 166808970
2-[3-[[6-methoxy-2-(6-methylimidazo[1,2-a]pyridin-2-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 163215722
6-[6-ethyl-4-[[1-(4-methylphenyl)sulfanylpiperidin-3-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 129070992
[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2,3-dihydroindol-1-yl]-(2-methylphenyl)methanone
CID 139269054
6-methoxy-2-[6-methoxy-4-[[1-(5-methyl-2-pyridinyl)piperidin-3-yl]methoxy]-1-benzofuran-2-yl]-7H-imidazo[1,2-b]pyrazole
CID 140928347
2-methoxy-6-[6-methoxy-4-[[5-(6-methyl-3-pyridinyl)-3-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042417
6-[4-[[2-(3-ethylphenyl)-5-methyl-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 130375612
N-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]cyclopentanecarboxamide
CID 122521321
2-methoxy-6-[6-methoxy-4-[[2-[1-(trifluoromethylsulfanyl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 130179506

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole (CID 160555001) is 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is C#Cc1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)cc1.C#Cc1ccc(N2CCC[C@@H](COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)nc1.C#Cc1ccnc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)c1.CCOC(=O)c1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)cc1.COc1cc(OCC2CCCN(c3ccc(C(C)(F)F)cc3)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCC2CCCN(c3ccc4c(c3)OCO4)C2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1ccc(N2CCCC(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)C2)c(OC)c1.
What is the InChIKey of 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QYOHWTPGKYSUGJ-SKSUCKENSA-N. The full InChI is InChI=1S/C29H30N4O6S.C28H28F2N4O4S.C28H30N4O6S.C28H26N4O4S.2C27H25N5O4S.C27H26N4O6S/c1-4-37-27(34)19-7-9-20(10-8-19)32-11-5-6-18(15-32)17-38-24-12-21(35-2)13-25-22(24)14-26(39-25)23-16-33-28(30-23)40-29(31-33)36-3;1-28(29,30)18-6-8-19(9-7-18)33-10-4-5-17(14-33)16-37-23-11-20(35-2)12-24-21(23)13-25(38-24)22-15-34-26(31-22)39-27(32-34)36-3;1-33-18-7-8-22(26(10-18)35-3)31-9-5-6-17(14-31)16-37-23-11-19(34-2)12-24-20(23)13-25(38-24)21-15-32-27(29-21)39-28(30-32)36-4;1-4-18-7-9-20(10-8-18)31-11-5-6-19(15-31)17-35-24-12-21(33-2)13-25-22(24)14-26(36-25)23-16-32-27(29-23)37-28(30-32)34-3;1-4-17-7-8-25(28-13-17)31-9-5-6-18(14-31)16-35-22-10-19(33-2)11-23-20(22)12-24(36-23)21-15-32-26(29-21)37-27(30-32)34-3;1-4-17-7-8-28-25(10-17)31-9-5-6-18(14-31)16-35-22-11-19(33-2)12-23-20(22)13-24(36-23)21-15-32-26(29-21)37-27(30-32)34-3;1-32-18-9-22(19-11-24(37-23(19)10-18)20-13-31-26(28-20)38-27(29-31)33-2)34-14-16-4-3-7-30(12-16)17-5-6-21-25(8-17)36-15-35-21/h7-10,12-14,16,18H,4-6,11,15,17H2,1-3H3;6-9,11-13,15,17H,4-5,10,14,16H2,1-3H3;7-8,10-13,15,17H,5-6,9,14,16H2,1-4H3;1,7-10,12-14,16,19H,5-6,11,15,17H2,2-3H3;2*1,7-8,10-13,15,18H,5-6,9,14,16H2,2-3H3;5-6,8-11,13,16H,3-4,7,12,14-15H2,1-2H3/t;;;;18-;;/m....1../s1.
What are the key properties of 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole?
6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 3748.29 g/mol, XLogP of 38.38, 54 rotatable bonds, 0 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[1-(1,3-benzodioxol-5-yl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-[4-(1,1-difluoroethyl)phenyl]piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(2,4-dimethoxyphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;ethyl 4-[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]piperidin-1-yl]benzoate;6-[4-[[1-(4-ethynylphenyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[1-(4-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[(3R)-1-(5-ethynyl-2-pyridinyl)piperidin-3-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 160555001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).