6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone

C177H130Cl4F4N32O25S14 — CID 158536899

IUPAC6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCN(C)C(=O)c1ccc(-c2nc(COc3cc(F)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1.CNC(=O)c1ccc(-c2nc(COc3cc(F)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c(C)s2)cc1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N(C)C)cc6)n5)cc(F)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N7CCCC7)cc6)n5)cc(F)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(Cl)cc6)n5)cc(Cl)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6cccc(C)c6)n5)cc(Cl)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(Cl)cc4o3)nc2s1
InChIInChI=1S/C28H22FN5O4S2.C27H22FN5O4S2.2C26H20FN5O4S2.C24H17ClN4O3S2.C23H14Cl2N4O3S2.C23H15ClN4O3S2/c1-36-28-32-34-13-21(31-27(34)40-28)24-12-20-22(10-18(29)11-23(20)38-24)37-14-19-15-39-25(30-19)16-4-6-17(7-5-16)26(35)33-8-2-3-9-33;1-4-32(2)25(34)16-7-5-15(6-8-16)24-29-18(14-38-24)13-36-21-9-17(28)10-22-19(21)11-23(37-22)20-12-33-26(30-20)39-27(31-33)35-3;1-31(2)24(33)15-6-4-14(5-7-15)23-28-17(13-37-23)12-35-20-8-16(27)9-21-18(20)10-22(36-21)19-11-32-25(29-19)38-26(30-32)34-3;1-13-19(29-24(37-13)15-6-4-14(5-7-15)23(33)28-2)12-35-20-8-16(27)9-21-17(20)10-22(36-21)18-11-32-25(30-18)38-26(31-32)34-3;1-13-4-3-5-14(6-13)22-26-16(12-33-22)11-31-19-7-15(25)8-20-17(19)9-21(32-20)18-10-29-23(27-18)34-24(28-29)30-2;1-30-23-28-29-9-17(27-22(29)34-23)20-8-16-18(6-14(25)7-19(16)32-20)31-10-15-11-33-21(26-15)12-2-4-13(24)5-3-12;1-29-23-27-28-10-17(26-22(28)33-23)20-9-16-18(7-14(24)8-19(16)31-20)30-11-15-12-32-21(25-15)13-5-3-2-4-6-13/h4-7,10-13,15H,2-3,8-9,14H2,1H3;5-12,14H,4,13H2,1-3H3;4-11,13H,12H2,1-3H3;4-11H,12H2,1-3H3,(H,28,33);3-10,12H,11H2,1-2H3;2-9,11H,10H2,1H3;2-10,12H,11H2,1H3
InChIKeyHOAYXPQNLFLUGR-UHFFFAOYSA-N
MW3771.93 g/mol
LogP44.58
Rot. Bonds47

About 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone

6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 158536899) has the molecular formula C177H130Cl4F4N32O25S14 and a molecular weight of 3771.93 g/mol. Its IUPAC name is 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID158536899
Molecular FormulaC177H130Cl4F4N32O25S14
Molecular Weight3771.93 g/mol
Exact Mass3766.47
IUPAC Name6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCN(C)C(=O)c1ccc(-c2nc(COc3cc(F)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1.CNC(=O)c1ccc(-c2nc(COc3cc(F)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c(C)s2)cc1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N(C)C)cc6)n5)cc(F)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N7CCCC7)cc6)n5)cc(F)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(Cl)cc6)n5)cc(Cl)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6cccc(C)c6)n5)cc(Cl)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(Cl)cc4o3)nc2s1
InChIInChI=1S/C28H22FN5O4S2.C27H22FN5O4S2.2C26H20FN5O4S2.C24H17ClN4O3S2.C23H14Cl2N4O3S2.C23H15ClN4O3S2/c1-36-28-32-34-13-21(31-27(34)40-28)24-12-20-22(10-18(29)11-23(20)38-24)37-14-19-15-39-25(30-19)16-4-6-17(7-5-16)26(35)33-8-2-3-9-33;1-4-32(2)25(34)16-7-5-15(6-8-16)24-29-18(14-38-24)13-36-21-9-17(28)10-22-19(21)11-23(37-22)20-12-33-26(30-20)39-27(31-33)35-3;1-31(2)24(33)15-6-4-14(5-7-15)23-28-17(13-37-23)12-35-20-8-16(27)9-21-18(20)10-22(36-21)19-11-32-25(29-19)38-26(30-32)34-3;1-13-19(29-24(37-13)15-6-4-14(5-7-15)23(33)28-2)12-35-20-8-16(27)9-21-17(20)10-22(36-21)18-11-32-25(30-18)38-26(31-32)34-3;1-13-4-3-5-14(6-13)22-26-16(12-33-22)11-31-19-7-15(25)8-20-17(19)9-21(32-20)18-10-29-23(27-18)34-24(28-29)30-2;1-30-23-28-29-9-17(27-22(29)34-23)20-8-16-18(6-14(25)7-19(16)32-20)31-10-15-11-33-21(26-15)12-2-4-13(24)5-3-12;1-29-23-27-28-10-17(26-22(28)33-23)20-9-16-18(7-14(24)8-19(16)31-20)30-11-15-12-32-21(25-15)13-5-3-2-4-6-13/h4-7,10-13,15H,2-3,8-9,14H2,1H3;5-12,14H,4,13H2,1-3H3;4-11,13H,12H2,1-3H3;4-11H,12H2,1-3H3,(H,28,33);3-10,12H,11H2,1-2H3;2-9,11H,10H2,1H3;2-10,12H,11H2,1H3
InChIKeyHOAYXPQNLFLUGR-UHFFFAOYSA-N
XLogP44.58
TPSA612.79 Ų
H-Bond Donors1
H-Bond Acceptors67
Rotatable Bonds47
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003771.93
LogP ≤ 544.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1067

Analyze 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

methane;4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 159784372
4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methylthiophen-2-yl]-N-methylbenzamide
CID 146558447
6-[4-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-fluoro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 157218380
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
6-[4-[[2-[4-(1,1-difluoroethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;bis(2-methoxy-6-[6-methoxy-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole);2-methoxy-6-[6-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 158809865
6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;2-[(1S)-1-fluoroethyl]-6-[6-fluoro-4-[(2-phenyl-1,3-thiazol-4-yl)oxymethyl]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;6-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;3-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole;2-methoxy-6-[6-methoxy-4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 157220026
[4-[4-fluoro-3-[[6-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]methoxy]phenyl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 139374142
6-[4-[[2-(2-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 129286902
N-cyclopropyl-4-[4-[[7-[[2-[4-(dicyclopropylcarbamoyl)phenyl]-1,3-thiazol-4-yl]-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxy]methyl]-6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]benzamide
CID 130179668
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
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
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 158536899) is 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone is CCN(C)C(=O)c1ccc(-c2nc(COc3cc(F)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1.CNC(=O)c1ccc(-c2nc(COc3cc(F)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c(C)s2)cc1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N(C)C)cc6)n5)cc(F)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N7CCCC7)cc6)n5)cc(F)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(Cl)cc6)n5)cc(Cl)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6cccc(C)c6)n5)cc(Cl)cc4o3)nc2s1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(Cl)cc4o3)nc2s1.
What is the InChIKey of 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HOAYXPQNLFLUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O4S2.C27H22FN5O4S2.2C26H20FN5O4S2.C24H17ClN4O3S2.C23H14Cl2N4O3S2.C23H15ClN4O3S2/c1-36-28-32-34-13-21(31-27(34)40-28)24-12-20-22(10-18(29)11-23(20)38-24)37-14-19-15-39-25(30-19)16-4-6-17(7-5-16)26(35)33-8-2-3-9-33;1-4-32(2)25(34)16-7-5-15(6-8-16)24-29-18(14-38-24)13-36-21-9-17(28)10-22-19(21)11-23(37-22)20-12-33-26(30-20)39-27(31-33)35-3;1-31(2)24(33)15-6-4-14(5-7-15)23-28-17(13-37-23)12-35-20-8-16(27)9-21-18(20)10-22(36-21)19-11-32-25(29-19)38-26(30-32)34-3;1-13-19(29-24(37-13)15-6-4-14(5-7-15)23(33)28-2)12-35-20-8-16(27)9-21-17(20)10-22(36-21)18-11-32-25(30-18)38-26(31-32)34-3;1-13-4-3-5-14(6-13)22-26-16(12-33-22)11-31-19-7-15(25)8-20-17(19)9-21(32-20)18-10-29-23(27-18)34-24(28-29)30-2;1-30-23-28-29-9-17(27-22(29)34-23)20-8-16-18(6-14(25)7-19(16)32-20)31-10-15-11-33-21(26-15)12-2-4-13(24)5-3-12;1-29-23-27-28-10-17(26-22(28)33-23)20-9-16-18(7-14(24)8-19(16)31-20)30-11-15-12-32-21(25-15)13-5-3-2-4-6-13/h4-7,10-13,15H,2-3,8-9,14H2,1H3;5-12,14H,4,13H2,1-3H3;4-11,13H,12H2,1-3H3;4-11H,12H2,1-3H3,(H,28,33);3-10,12H,11H2,1-2H3;2-9,11H,10H2,1H3;2-10,12H,11H2,1H3.
What are the key properties of 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone?
6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 3771.93 g/mol, XLogP of 44.58, 47 rotatable bonds, 1 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;6-[6-chloro-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole;N-ethyl-4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]-N-methylbenzamide;4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide;[4-[4-[[6-fluoro-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 158536899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).