4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide

C262H228F8IN31O14S5 — CID 161366346

IUPAC4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide
SMILESC#CCOc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1.C#CCOc1ccc(/C=C/c2ccncn2)cc1.C#CCOc1ccc(/C=C/c2ccncn2)cc1.COc1cc(/C=C/c2ccncn2)cc(OC)c1OC.COc1cc(/C=C/c2cnccn2)cc(OC)c1.COc1cc(C)c(/C=C/c2ccncn2)c(C)c1.COc1cc(C)cc(/C=C/c2ccncn2)c1.COc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1.Cc1ccc(/C=C/c2cc[n+](C)cn2)c(C)c1.Cc1ccc(/C=C/c2ccccc2)c(C)c1.Cc1ccc(/C=C/c2cccnc2)c(C)c1.Cc1ccc(/C=C/c2ccncn2)c(C)c1.Cc1ccc(/C=C/c2cnccn2)c(C)c1.Cc1ccc(/C=C/c2cncnc2)c(C)c1.Fc1ccc(-c2csc(-c3ccccn3)n2)cc1C(F)(F)F.N#CCOc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1.Oc1ccc(-c2nc(-c3ccc(F)c(C(F)(F)F)c3)cs2)cc1.[I-]
InChIInChI=1S/C19H12N2OS.C18H11N3OS.C18H14N2O2S.C16H9F4NOS.C16H16.C15H8F4N2S.C15H16N2O3.C15H16N2O.2C15H12N2O.C15H17N2.C15H15N.C14H14N2O2.C14H14N2O.3C14H14N2.HI/c1-2-11-22-17-9-7-16(8-10-17)19-21-18(13-23-19)15-5-3-14(12-20)4-6-15;19-9-10-22-16-7-5-15(6-8-16)18-21-17(12-23-18)14-3-1-13(11-20)2-4-14;1-21-14-7-8-15(17(9-14)22-2)18-20-16(11-23-18)13-5-3-12(10-19)4-6-13;17-13-6-3-10(7-12(13)16(18,19)20)14-8-23-15(21-14)9-1-4-11(22)5-2-9;1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;16-11-5-4-9(7-10(11)15(17,18)19)13-8-22-14(21-13)12-3-1-2-6-20-12;1-18-13-8-11(9-14(19-2)15(13)20-3)4-5-12-6-7-16-10-17-12;1-11-8-14(18-3)9-12(2)15(11)5-4-13-6-7-16-10-17-13;2*1-2-11-18-15-7-4-13(5-8-15)3-6-14-9-10-16-12-17-14;1-12-4-5-14(13(2)10-12)6-7-15-8-9-17(3)11-16-15;1-12-5-7-15(13(2)10-12)8-6-14-4-3-9-16-11-14;1-17-13-7-11(8-14(9-13)18-2)3-4-12-10-15-5-6-16-12;1-11-7-12(9-14(8-11)17-2)3-4-13-5-6-15-10-16-13;1-11-3-5-14(12(2)7-11)6-4-13-8-15-10-16-9-13;1-11-3-4-13(12(2)9-11)5-6-14-10-15-7-8-16-14;1-11-3-4-13(12(2)9-11)5-6-14-7-8-15-10-16-14;/h1,3-10,13H,11H2;1-8,12H,10H2;3-9,11H,1-2H3;1-8,22H;3-12H,1-2H3;1-8H;4-10H,1-3H3;4-10H,1-3H3;2*1,3-10,12H,11H2;4-11H,1-3H3;3-11H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-10H,1-2H3;1H/q;;;;;;;;;;+1;;;;;;;/p-1/b;;;;11-9+;;2*5-4+;2*6-3+;7-6+;8-6+;2*4-3+;6-4+;2*6-5+;
InChIKeyNAAUIQXKZYRGLW-UFOHFNCCSA-M
MW4474.13 g/mol
LogP58.07
Rot. Bonds51

About 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide

4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide (PubChem CID 161366346) has the molecular formula C262H228F8IN31O14S5 and a molecular weight of 4474.13 g/mol. Its IUPAC name is 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide.

Molecular Properties

Compound Name4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide
PubChem CID161366346
Molecular FormulaC262H228F8IN31O14S5
Molecular Weight4474.13 g/mol
Exact Mass4470.56
IUPAC Name4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide
SMILESC#CCOc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1.C#CCOc1ccc(/C=C/c2ccncn2)cc1.C#CCOc1ccc(/C=C/c2ccncn2)cc1.COc1cc(/C=C/c2ccncn2)cc(OC)c1OC.COc1cc(/C=C/c2cnccn2)cc(OC)c1.COc1cc(C)c(/C=C/c2ccncn2)c(C)c1.COc1cc(C)cc(/C=C/c2ccncn2)c1.COc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1.Cc1ccc(/C=C/c2cc[n+](C)cn2)c(C)c1.Cc1ccc(/C=C/c2ccccc2)c(C)c1.Cc1ccc(/C=C/c2cccnc2)c(C)c1.Cc1ccc(/C=C/c2ccncn2)c(C)c1.Cc1ccc(/C=C/c2cnccn2)c(C)c1.Cc1ccc(/C=C/c2cncnc2)c(C)c1.Fc1ccc(-c2csc(-c3ccccn3)n2)cc1C(F)(F)F.N#CCOc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1.Oc1ccc(-c2nc(-c3ccc(F)c(C(F)(F)F)c3)cs2)cc1.[I-]
InChIInChI=1S/C19H12N2OS.C18H11N3OS.C18H14N2O2S.C16H9F4NOS.C16H16.C15H8F4N2S.C15H16N2O3.C15H16N2O.2C15H12N2O.C15H17N2.C15H15N.C14H14N2O2.C14H14N2O.3C14H14N2.HI/c1-2-11-22-17-9-7-16(8-10-17)19-21-18(13-23-19)15-5-3-14(12-20)4-6-15;19-9-10-22-16-7-5-15(6-8-16)18-21-17(12-23-18)14-3-1-13(11-20)2-4-14;1-21-14-7-8-15(17(9-14)22-2)18-20-16(11-23-18)13-5-3-12(10-19)4-6-13;17-13-6-3-10(7-12(13)16(18,19)20)14-8-23-15(21-14)9-1-4-11(22)5-2-9;1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;16-11-5-4-9(7-10(11)15(17,18)19)13-8-22-14(21-13)12-3-1-2-6-20-12;1-18-13-8-11(9-14(19-2)15(13)20-3)4-5-12-6-7-16-10-17-12;1-11-8-14(18-3)9-12(2)15(11)5-4-13-6-7-16-10-17-13;2*1-2-11-18-15-7-4-13(5-8-15)3-6-14-9-10-16-12-17-14;1-12-4-5-14(13(2)10-12)6-7-15-8-9-17(3)11-16-15;1-12-5-7-15(13(2)10-12)8-6-14-4-3-9-16-11-14;1-17-13-7-11(8-14(9-13)18-2)3-4-12-10-15-5-6-16-12;1-11-7-12(9-14(8-11)17-2)3-4-13-5-6-15-10-16-13;1-11-3-5-14(12(2)7-11)6-4-13-8-15-10-16-9-13;1-11-3-4-13(12(2)9-11)5-6-14-10-15-7-8-16-14;1-11-3-4-13(12(2)9-11)5-6-14-7-8-15-10-16-14;/h1,3-10,13H,11H2;1-8,12H,10H2;3-9,11H,1-2H3;1-8,22H;3-12H,1-2H3;1-8H;4-10H,1-3H3;4-10H,1-3H3;2*1,3-10,12H,11H2;4-11H,1-3H3;3-11H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-10H,1-2H3;1H/q;;;;;;;;;;+1;;;;;;;/p-1/b;;;;11-9+;;2*5-4+;2*6-3+;7-6+;8-6+;2*4-3+;6-4+;2*6-5+;
InChIKeyNAAUIQXKZYRGLW-UFOHFNCCSA-M
XLogP58.07
TPSA574.40 Ų
H-Bond Donors1
H-Bond Acceptors49
Rotatable Bonds51
Heavy Atoms321
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004474.13
LogP ≤ 558.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1049

Analyze 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide with MolForge

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Related Compounds

2,4-Bis(2,4-dimethoxyphenyl)-1,3-thiazole;2-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazole;2-(2,4-dimethoxyphenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole;2-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-thiazole;4-(2,4-dimethoxyphenyl)-2-pyridin-3-yl-1,3-thiazole;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]phenol;4-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenol;2-(3,5-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole;4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2-[4-(4-phenyl-1,3-thiazol-2-yl)phenoxy]acetonitrile;4-(2-pyridin-3-yl-1,3-thiazol-4-yl)benzonitrile;4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenol;4-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenol
CID 159796291

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide?
The IUPAC name of 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide (CID 161366346) is 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide.
What is the SMILES notation for 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide?
The canonical SMILES for 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide is C#CCOc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1.C#CCOc1ccc(/C=C/c2ccncn2)cc1.C#CCOc1ccc(/C=C/c2ccncn2)cc1.COc1cc(/C=C/c2ccncn2)cc(OC)c1OC.COc1cc(/C=C/c2cnccn2)cc(OC)c1.COc1cc(C)c(/C=C/c2ccncn2)c(C)c1.COc1cc(C)cc(/C=C/c2ccncn2)c1.COc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1.Cc1ccc(/C=C/c2cc[n+](C)cn2)c(C)c1.Cc1ccc(/C=C/c2ccccc2)c(C)c1.Cc1ccc(/C=C/c2cccnc2)c(C)c1.Cc1ccc(/C=C/c2ccncn2)c(C)c1.Cc1ccc(/C=C/c2cnccn2)c(C)c1.Cc1ccc(/C=C/c2cncnc2)c(C)c1.Fc1ccc(-c2csc(-c3ccccn3)n2)cc1C(F)(F)F.N#CCOc1ccc(-c2nc(-c3ccc(C#N)cc3)cs2)cc1.Oc1ccc(-c2nc(-c3ccc(F)c(C(F)(F)F)c3)cs2)cc1.[I-].
What is the InChIKey of 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide?
The InChIKey is NAAUIQXKZYRGLW-UFOHFNCCSA-M. The full InChI is InChI=1S/C19H12N2OS.C18H11N3OS.C18H14N2O2S.C16H9F4NOS.C16H16.C15H8F4N2S.C15H16N2O3.C15H16N2O.2C15H12N2O.C15H17N2.C15H15N.C14H14N2O2.C14H14N2O.3C14H14N2.HI/c1-2-11-22-17-9-7-16(8-10-17)19-21-18(13-23-19)15-5-3-14(12-20)4-6-15;19-9-10-22-16-7-5-15(6-8-16)18-21-17(12-23-18)14-3-1-13(11-20)2-4-14;1-21-14-7-8-15(17(9-14)22-2)18-20-16(11-23-18)13-5-3-12(10-19)4-6-13;17-13-6-3-10(7-12(13)16(18,19)20)14-8-23-15(21-14)9-1-4-11(22)5-2-9;1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;16-11-5-4-9(7-10(11)15(17,18)19)13-8-22-14(21-13)12-3-1-2-6-20-12;1-18-13-8-11(9-14(19-2)15(13)20-3)4-5-12-6-7-16-10-17-12;1-11-8-14(18-3)9-12(2)15(11)5-4-13-6-7-16-10-17-13;2*1-2-11-18-15-7-4-13(5-8-15)3-6-14-9-10-16-12-17-14;1-12-4-5-14(13(2)10-12)6-7-15-8-9-17(3)11-16-15;1-12-5-7-15(13(2)10-12)8-6-14-4-3-9-16-11-14;1-17-13-7-11(8-14(9-13)18-2)3-4-12-10-15-5-6-16-12;1-11-7-12(9-14(8-11)17-2)3-4-13-5-6-15-10-16-13;1-11-3-5-14(12(2)7-11)6-4-13-8-15-10-16-9-13;1-11-3-4-13(12(2)9-11)5-6-14-10-15-7-8-16-14;1-11-3-4-13(12(2)9-11)5-6-14-7-8-15-10-16-14;/h1,3-10,13H,11H2;1-8,12H,10H2;3-9,11H,1-2H3;1-8,22H;3-12H,1-2H3;1-8H;4-10H,1-3H3;4-10H,1-3H3;2*1,3-10,12H,11H2;4-11H,1-3H3;3-11H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3*3-10H,1-2H3;1H/q;;;;;;;;;;+1;;;;;;;/p-1/b;;;;11-9+;;2*5-4+;2*6-3+;7-6+;8-6+;2*4-3+;6-4+;2*6-5+;.
What are the key properties of 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide?
4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide has a molecular weight of 4474.13 g/mol, XLogP of 58.07, 51 rotatable bonds, 1 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(cyanomethoxy)phenyl]-1,3-thiazol-4-yl]benzonitrile;2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyrazine;4-[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]-1-methylpyrimidin-1-ium;2-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrazine;3-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyridine;4-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;5-[(E)-2-(2,4-dimethylphenyl)ethenyl]pyrimidine;4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridin-2-yl-1,3-thiazole;4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol;4-[(E)-2-(4-methoxy-2,6-dimethylphenyl)ethenyl]pyrimidine;4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]pyrimidine;bis(4-[(E)-2-(4-prop-2-ynoxyphenyl)ethenyl]pyrimidine);4-[2-(4-prop-2-ynoxyphenyl)-1,3-thiazol-4-yl]benzonitrile;4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyrimidine;iodide is sourced from PubChem (CID 161366346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).