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

C167H122Cl2F3N29O27S14 — CID 157220026

IUPAC6-[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
SMILESCOc1cc(OCc2csc(-c3cc(C)on3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccc(F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3Cl)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3OC)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(Cl)cc4o3)nc2s1.C[C@H](F)c1nn2cc(-c3cc4c(COc5csc(-c6ccccc6)n5)cc(F)cc4o3)nc2s1
InChIInChI=1S/C25H20N4O5S2.C25H20N4O4S2.C24H17ClN4O4S2.C24H16F2N4O2S2.C24H17FN4O4S2.C23H15ClN4O3S2.C22H17N5O5S2/c1-30-15-8-20(33-12-14-13-35-23(26-14)16-6-4-5-7-19(16)31-2)17-10-22(34-21(17)9-15)18-11-29-24(27-18)36-25(28-29)32-3;1-14-6-4-5-7-17(14)23-26-15(13-34-23)12-32-20-8-16(30-2)9-21-18(20)10-22(33-21)19-11-29-24(27-19)35-25(28-29)31-3;1-30-14-7-19(32-11-13-12-34-22(26-13)15-5-3-4-6-17(15)25)16-9-21(33-20(16)8-14)18-10-29-23(27-18)35-24(28-29)31-2;1-13(25)22-29-30-10-18(27-24(30)34-22)20-9-17-15(7-16(26)8-19(17)32-20)11-31-21-12-33-23(28-21)14-5-3-2-4-6-14;1-30-16-7-19(32-11-15-12-34-22(26-15)13-3-5-14(25)6-4-13)17-9-21(33-20(17)8-16)18-10-29-23(27-18)35-24(28-29)31-2;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;1-11-4-15(26-32-11)20-23-12(10-33-20)9-30-17-5-13(28-2)6-18-14(17)7-19(31-18)16-8-27-21(24-16)34-22(25-27)29-3/h4-11,13H,12H2,1-3H3;4-11,13H,12H2,1-3H3;3-10,12H,11H2,1-2H3;2-10,12-13H,11H2,1H3;3-10,12H,11H2,1-2H3;2-10,12H,11H2,1H3;4-8,10H,9H2,1-3H3/t;;;13-;;;/m...0.../s1
InChIKeyASWHUBLHIAUSBE-FFLSECGWSA-N
MW3543.83 g/mol
LogP43.67
Rot. Bonds48

About 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

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 (PubChem CID 157220026) has the molecular formula C167H122Cl2F3N29O27S14 and a molecular weight of 3543.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID157220026
Molecular FormulaC167H122Cl2F3N29O27S14
Molecular Weight3543.83 g/mol
Exact Mass3539.45
IUPAC Name6-[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
SMILESCOc1cc(OCc2csc(-c3cc(C)on3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccc(F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3Cl)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3OC)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(Cl)cc4o3)nc2s1.C[C@H](F)c1nn2cc(-c3cc4c(COc5csc(-c6ccccc6)n5)cc(F)cc4o3)nc2s1
InChIInChI=1S/C25H20N4O5S2.C25H20N4O4S2.C24H17ClN4O4S2.C24H16F2N4O2S2.C24H17FN4O4S2.C23H15ClN4O3S2.C22H17N5O5S2/c1-30-15-8-20(33-12-14-13-35-23(26-14)16-6-4-5-7-19(16)31-2)17-10-22(34-21(17)9-15)18-11-29-24(27-18)36-25(28-29)32-3;1-14-6-4-5-7-17(14)23-26-15(13-34-23)12-32-20-8-16(30-2)9-21-18(20)10-22(33-21)19-11-29-24(27-19)35-25(28-29)31-3;1-30-14-7-19(32-11-13-12-34-22(26-13)15-5-3-4-6-17(15)25)16-9-21(33-20(16)8-14)18-10-29-23(27-18)35-24(28-29)31-2;1-13(25)22-29-30-10-18(27-24(30)34-22)20-9-17-15(7-16(26)8-19(17)32-20)11-31-21-12-33-23(28-21)14-5-3-2-4-6-14;1-30-16-7-19(32-11-15-12-34-22(26-15)13-3-5-14(25)6-4-13)17-9-21(33-20(17)8-16)18-10-29-23(27-18)35-24(28-29)31-2;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;1-11-4-15(26-32-11)20-23-12(10-33-20)9-30-17-5-13(28-2)6-18-14(17)7-19(31-18)16-8-27-21(24-16)34-22(25-27)29-3/h4-11,13H,12H2,1-3H3;4-11,13H,12H2,1-3H3;3-10,12H,11H2,1-2H3;2-10,12-13H,11H2,1H3;3-10,12H,11H2,1-2H3;2-10,12H,11H2,1H3;4-8,10H,9H2,1-3H3/t;;;13-;;;/m...0.../s1
InChIKeyASWHUBLHIAUSBE-FFLSECGWSA-N
XLogP43.67
TPSA594.94 Ų
H-Bond Donors
H-Bond Acceptors70
Rotatable Bonds48
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003543.83
LogP ≤ 543.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1070

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OCc2csc(-c3cc(C)on3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccc(F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3C)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3Cl)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2csc(-c3ccccc3OC)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1nn2cc(-c3cc4c(OCc5csc(-c6ccccc6)n5)cc(Cl)cc4o3)nc2s1.C[C@H](F)c1nn2cc(-c3cc4c(COc5csc(-c6ccccc6)n5)cc(F)cc4o3)nc2s1.
What is the InChIKey of 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?
The InChIKey is ASWHUBLHIAUSBE-FFLSECGWSA-N. The full InChI is InChI=1S/C25H20N4O5S2.C25H20N4O4S2.C24H17ClN4O4S2.C24H16F2N4O2S2.C24H17FN4O4S2.C23H15ClN4O3S2.C22H17N5O5S2/c1-30-15-8-20(33-12-14-13-35-23(26-14)16-6-4-5-7-19(16)31-2)17-10-22(34-21(17)9-15)18-11-29-24(27-18)36-25(28-29)32-3;1-14-6-4-5-7-17(14)23-26-15(13-34-23)12-32-20-8-16(30-2)9-21-18(20)10-22(33-21)19-11-29-24(27-19)35-25(28-29)31-3;1-30-14-7-19(32-11-13-12-34-22(26-13)15-5-3-4-6-17(15)25)16-9-21(33-20(16)8-14)18-10-29-23(27-18)35-24(28-29)31-2;1-13(25)22-29-30-10-18(27-24(30)34-22)20-9-17-15(7-16(26)8-19(17)32-20)11-31-21-12-33-23(28-21)14-5-3-2-4-6-14;1-30-16-7-19(32-11-15-12-34-22(26-15)13-3-5-14(25)6-4-13)17-9-21(33-20(17)8-16)18-10-29-23(27-18)35-24(28-29)31-2;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;1-11-4-15(26-32-11)20-23-12(10-33-20)9-30-17-5-13(28-2)6-18-14(17)7-19(31-18)16-8-27-21(24-16)34-22(25-27)29-3/h4-11,13H,12H2,1-3H3;4-11,13H,12H2,1-3H3;3-10,12H,11H2,1-2H3;2-10,12-13H,11H2,1H3;3-10,12H,11H2,1-2H3;2-10,12H,11H2,1H3;4-8,10H,9H2,1-3H3/t;;;13-;;;/m...0.../s1.
What are the key properties of 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?
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 has a molecular weight of 3543.83 g/mol, XLogP of 43.67, 48 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157220026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).