6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

C81H81F2N13O11S3 — CID 158254875

IUPAC6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESC.C.COc1cc(OCc2cccc(C3(F)CCCCC3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1.COc1cc(OCc2cccc(C3(OC)CCCCC3)n2)c2cc(-c3cn4nc(C)sc4n3)oc2c1.COc1cc(OCc2ccnc(-c3ccccc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C27H26F2N4O3S.C27H28N4O4S.C25H19N5O4S.2CH4/c1-16(28)25-32-33-14-20(31-26(33)37-25)23-13-19-21(11-18(34-2)12-22(19)36-23)35-15-17-7-6-8-24(30-17)27(29)9-4-3-5-10-27;1-17-30-31-15-21(29-26(31)36-17)24-14-20-22(12-19(32-2)13-23(20)35-24)34-16-18-8-7-9-25(28-18)27(33-3)10-5-4-6-11-27;1-31-17-10-20(33-14-16-8-9-26-23(27-16)15-6-4-3-5-7-15)18-12-22(34-21(18)11-17)19-13-30-24(28-19)35-25(29-30)32-2;;/h6-8,11-14,16H,3-5,9-10,15H2,1-2H3;7-9,12-15H,4-6,10-11,16H2,1-3H3;3-13H,14H2,1-2H3;2*1H4/t16-;;;;/m0..../s1
InChIKeyGHDVHCTVVBDBNF-FXAGWRDUSA-N
MW1546.82 g/mol
LogP20.18
Rot. Bonds21

About 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 158254875) has the molecular formula C81H81F2N13O11S3 and a molecular weight of 1546.82 g/mol. Its IUPAC name is 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID158254875
Molecular FormulaC81H81F2N13O11S3
Molecular Weight1546.82 g/mol
Exact Mass1545.53
IUPAC Name6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESC.C.COc1cc(OCc2cccc(C3(F)CCCCC3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1.COc1cc(OCc2cccc(C3(OC)CCCCC3)n2)c2cc(-c3cn4nc(C)sc4n3)oc2c1.COc1cc(OCc2ccnc(-c3ccccc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
InChIInChI=1S/C27H26F2N4O3S.C27H28N4O4S.C25H19N5O4S.2CH4/c1-16(28)25-32-33-14-20(31-26(33)37-25)23-13-19-21(11-18(34-2)12-22(19)36-23)35-15-17-7-6-8-24(30-17)27(29)9-4-3-5-10-27;1-17-30-31-15-21(29-26(31)36-17)24-14-20-22(12-19(32-2)13-23(20)35-24)34-16-18-8-7-9-25(28-18)27(33-3)10-5-4-6-11-27;1-31-17-10-20(33-14-16-8-9-26-23(27-16)15-6-4-3-5-7-15)18-12-22(34-21(18)11-17)19-13-30-24(28-19)35-25(29-30)32-2;;/h6-8,11-14,16H,3-5,9-10,15H2,1-2H3;7-9,12-15H,4-6,10-11,16H2,1-3H3;3-13H,14H2,1-2H3;2*1H4/t16-;;;;/m0..../s1
InChIKeyGHDVHCTVVBDBNF-FXAGWRDUSA-N
XLogP20.18
TPSA255.39 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001546.82
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-[6-methoxy-4-[[2-(1-methoxycyclohexyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 130375623
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-(2-phenylethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155515625
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378
2-methoxy-6-[6-methoxy-4-[(2-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155544936
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
2-methoxy-6-[6-methoxy-4-[[3-(6-methyl-3-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118042410
[3-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]phenyl]methanol
CID 155545221
6-[4-[(3-iodophenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 122521872
4-[4-[[2-[2-(1-fluoroethyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-6-methoxy-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-2,6-dimethyloxan-4-ol
CID 123451263
2-[(1S)-1-fluoroethyl]-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[3-methoxy-5-(2-methoxypyrimidin-5-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(4-methoxyphenyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[[6-(2-methoxypyrimidin-5-yl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole;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;2-methoxy-6-[6-methoxy-4-[[6-(6-methyl-3-pyridinyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 159090951
2-methoxy-6-[6-methoxy-4-[[3-[(2-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068644

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 158254875) is 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is C.C.COc1cc(OCc2cccc(C3(F)CCCCC3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1.COc1cc(OCc2cccc(C3(OC)CCCCC3)n2)c2cc(-c3cn4nc(C)sc4n3)oc2c1.COc1cc(OCc2ccnc(-c3ccccc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.
What is the InChIKey of 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is GHDVHCTVVBDBNF-FXAGWRDUSA-N. The full InChI is InChI=1S/C27H26F2N4O3S.C27H28N4O4S.C25H19N5O4S.2CH4/c1-16(28)25-32-33-14-20(31-26(33)37-25)23-13-19-21(11-18(34-2)12-22(19)36-23)35-15-17-7-6-8-24(30-17)27(29)9-4-3-5-10-27;1-17-30-31-15-21(29-26(31)36-17)24-14-20-22(12-19(32-2)13-23(20)35-24)34-16-18-8-7-9-25(28-18)27(33-3)10-5-4-6-11-27;1-31-17-10-20(33-14-16-8-9-26-23(27-16)15-6-4-3-5-7-15)18-12-22(34-21(18)11-17)19-13-30-24(28-19)35-25(29-30)32-2;;/h6-8,11-14,16H,3-5,9-10,15H2,1-2H3;7-9,12-15H,4-6,10-11,16H2,1-3H3;3-13H,14H2,1-2H3;2*1H4/t16-;;;;/m0..../s1.
What are the key properties of 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 1546.82 g/mol, XLogP of 20.18, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[6-(1-fluorocyclohexyl)-2-pyridinyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazole;methane;6-[6-methoxy-4-[[6-(1-methoxycyclohexyl)-2-pyridinyl]methoxy]-1-benzofuran-2-yl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole;2-methoxy-6-[6-methoxy-4-[(2-phenylpyrimidin-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 158254875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).