methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine

C140H175N21O6S6 — CID 157312010

IUPACmethane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine
SMILESC.COC1=C(C)CC=C1C.COc1c(C)sc(C)c1C.COc1sc(C)cc1C.Cc1cc(C)c2nc(C)n(C)c(=O)c2n1.Cc1cc(C)c2ncn(C)c2c1C.Cc1cc(C)c2ncoc2c1C.Cc1cc(C)c2ncsc2c1C.Cc1cc(C)c2nsnc2c1C.Cc1nc2c(C)cnc(C)c2c(C)c1C.Cc1nc2c(C)cnc(C)c2nc1C.Cc1nc2c(C)cnn2c(C)c1C.Cc1nc2c(C)coc2c(C)c1C.Cc1nc2c(C)csc2c(C)c1C.Cc1nc2scc(C)c2nc1C
InChIInChI=1S/C13H16N2.C11H13N3O.C11H13N3.C11H14N2.C11H13NO.C11H13NS.C10H13N3.C10H11NO.C10H11NS.2C9H10N2S.C8H12OS.C8H12O.C7H10OS.CH4/c1-7-6-14-11(5)12-9(3)8(2)10(4)15-13(7)12;1-6-5-7(2)12-10-9(6)13-8(3)14(4)11(10)15;1-6-5-12-9(4)11-10(6)13-7(2)8(3)14-11;1-7-5-8(2)10-11(9(7)3)13(4)6-12-10;2*1-6-5-13-11-8(3)7(2)9(4)12-10(6)11;1-6-5-11-13-9(4)7(2)8(3)12-10(6)13;2*1-6-4-7(2)9-10(8(6)3)12-5-11-9;1-5-4-12-9-8(5)10-6(2)7(3)11-9;1-5-4-6(2)8-9(7(5)3)11-12-10-8;1-5-6(2)10-7(3)8(5)9-4;1-6-4-5-7(2)8(6)9-3;1-5-4-6(2)9-7(5)8-3;/h6H,1-5H3;5H,1-4H3;5H,1-4H3;5-6H,1-4H3;3*5H,1-4H3;2*4-5H,1-3H3;2*4H,1-3H3;1-4H3;4H,5H2,1-3H3;4H,1-3H3;1H4
InChIKeyBDDLRQLOVZYRKS-UHFFFAOYSA-N
MW2440.48 g/mol
LogP36.89
Rot. Bonds3

About methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine

methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine (PubChem CID 157312010) has the molecular formula C140H175N21O6S6 and a molecular weight of 2440.48 g/mol. Its IUPAC name is methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine.

Molecular Properties

Compound Namemethane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine
PubChem CID157312010
Molecular FormulaC140H175N21O6S6
Molecular Weight2440.48 g/mol
Exact Mass2438.24
IUPAC Namemethane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine
SMILESC.COC1=C(C)CC=C1C.COc1c(C)sc(C)c1C.COc1sc(C)cc1C.Cc1cc(C)c2nc(C)n(C)c(=O)c2n1.Cc1cc(C)c2ncn(C)c2c1C.Cc1cc(C)c2ncoc2c1C.Cc1cc(C)c2ncsc2c1C.Cc1cc(C)c2nsnc2c1C.Cc1nc2c(C)cnc(C)c2c(C)c1C.Cc1nc2c(C)cnc(C)c2nc1C.Cc1nc2c(C)cnn2c(C)c1C.Cc1nc2c(C)coc2c(C)c1C.Cc1nc2c(C)csc2c(C)c1C.Cc1nc2scc(C)c2nc1C
InChIInChI=1S/C13H16N2.C11H13N3O.C11H13N3.C11H14N2.C11H13NO.C11H13NS.C10H13N3.C10H11NO.C10H11NS.2C9H10N2S.C8H12OS.C8H12O.C7H10OS.CH4/c1-7-6-14-11(5)12-9(3)8(2)10(4)15-13(7)12;1-6-5-7(2)12-10-9(6)13-8(3)14(4)11(10)15;1-6-5-12-9(4)11-10(6)13-7(2)8(3)14-11;1-7-5-8(2)10-11(9(7)3)13(4)6-12-10;2*1-6-5-13-11-8(3)7(2)9(4)12-10(6)11;1-6-5-11-13-9(4)7(2)8(3)12-10(6)13;2*1-6-4-7(2)9-10(8(6)3)12-5-11-9;1-5-4-12-9-8(5)10-6(2)7(3)11-9;1-5-4-6(2)8-9(7(5)3)11-12-10-8;1-5-6(2)10-7(3)8(5)9-4;1-6-4-5-7(2)8(6)9-3;1-5-4-6(2)9-7(5)8-3;/h6H,1-5H3;5H,1-4H3;5H,1-4H3;5-6H,1-4H3;3*5H,1-4H3;2*4-5H,1-3H3;2*4H,1-3H3;1-4H3;4H,5H2,1-3H3;4H,1-3H3;1H4
InChIKeyBDDLRQLOVZYRKS-UHFFFAOYSA-N
XLogP36.89
TPSA317.33 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds3
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002440.48
LogP ≤ 536.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine with MolForge

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Related Compounds

dialuminum;diberyllium;tetragallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;2-(1-methylpyrrol-2-yl)phenolate;bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide);2-pyridin-2-ylnaphthalen-1-olate
CID 157512452
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;3-methyl-1,5-naphthyridine;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine
CID 157645993
CID 157666670
CID 157666670
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
Acetonitrile;1,2-dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;1,4-dimethylpyridin-2-one;ethane;2-fluoro-5-methylpyridine;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(5-isocyano-4-methyl-3-pyridinyl)ethanone;methoxymethane;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindazole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);bis(4-methylpyridazine);2-methylpyridine;3-methylpyridine;4-methylpyridine;5-methylpyridine-2-carbonitrile;2-methylquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;5-methyl-2-(trifluoromethyl)pyridine;1,1,1-trifluoroethane
CID 158004282
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
CID 158633368
CID 158633368
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
N-(1,5-dimethylbenzimidazol-2-yl)acetamide;N-(1,5-dimethylbenzimidazol-2-yl)methanesulfonamide;1,3-dimethyl-5-(trifluoromethyl)benzene;5-fluoro-2-methyl-1-benzofuran;5-fluoro-2-methyl-1-benzothiophene;5-fluoro-2-methyl-1H-indole;N-(6-methyl-1H-benzimidazol-2-yl)acetamide;N-(6-methyl-1H-benzimidazol-2-yl)methanesulfonamide;6-methyl-1,2-benzothiazole;N-(5-methyl-1,3-benzothiazol-2-yl)acetamide;N-(5-methyl-1,3-benzothiazol-2-yl)methanesulfonamide;6-methyl-1,2-benzoxazole;N-(5-methyl-1,3-benzoxazol-2-yl)acetamide;N-(5-methyl-1,3-benzoxazol-2-yl)methanesulfonamide;2-methylfuro[2,3-b]pyridine;3-methyl-2H-indazole;6-methyl-1H-indazole;2-methyl-1H-pyrrolo[2,3-b]pyridine;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;2-methylthieno[2,3-b]pyridine
CID 159667227
CID 160438083
CID 160438083
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160688113
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799

Frequently Asked Questions

What is the IUPAC name of methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine?
The IUPAC name of methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine (CID 157312010) is methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine.
What is the SMILES notation for methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine?
The canonical SMILES for methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine is C.COC1=C(C)CC=C1C.COc1c(C)sc(C)c1C.COc1sc(C)cc1C.Cc1cc(C)c2nc(C)n(C)c(=O)c2n1.Cc1cc(C)c2ncn(C)c2c1C.Cc1cc(C)c2ncoc2c1C.Cc1cc(C)c2ncsc2c1C.Cc1cc(C)c2nsnc2c1C.Cc1nc2c(C)cnc(C)c2c(C)c1C.Cc1nc2c(C)cnc(C)c2nc1C.Cc1nc2c(C)cnn2c(C)c1C.Cc1nc2c(C)coc2c(C)c1C.Cc1nc2c(C)csc2c(C)c1C.Cc1nc2scc(C)c2nc1C.
What is the InChIKey of methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine?
The InChIKey is BDDLRQLOVZYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C11H13N3O.C11H13N3.C11H14N2.C11H13NO.C11H13NS.C10H13N3.C10H11NO.C10H11NS.2C9H10N2S.C8H12OS.C8H12O.C7H10OS.CH4/c1-7-6-14-11(5)12-9(3)8(2)10(4)15-13(7)12;1-6-5-7(2)12-10-9(6)13-8(3)14(4)11(10)15;1-6-5-12-9(4)11-10(6)13-7(2)8(3)14-11;1-7-5-8(2)10-11(9(7)3)13(4)6-12-10;2*1-6-5-13-11-8(3)7(2)9(4)12-10(6)11;1-6-5-11-13-9(4)7(2)8(3)12-10(6)13;2*1-6-4-7(2)9-10(8(6)3)12-5-11-9;1-5-4-12-9-8(5)10-6(2)7(3)11-9;1-5-4-6(2)8-9(7(5)3)11-12-10-8;1-5-6(2)10-7(3)8(5)9-4;1-6-4-5-7(2)8(6)9-3;1-5-4-6(2)9-7(5)8-3;/h6H,1-5H3;5H,1-4H3;5H,1-4H3;5-6H,1-4H3;3*5H,1-4H3;2*4-5H,1-3H3;2*4H,1-3H3;1-4H3;4H,5H2,1-3H3;4H,1-3H3;1H4.
What are the key properties of methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine?
methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine has a molecular weight of 2440.48 g/mol, XLogP of 36.89, 3 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxy-1,3-dimethylcyclopenta-1,3-diene;2-methoxy-3,5-dimethylthiophene;3-methoxy-2,4,5-trimethylthiophene;2,3,4,5,8-pentamethyl-1,6-naphthyridine;1,4,6,7-tetramethylbenzimidazole;3,5,6,7-tetramethylfuro[3,2-b]pyridine;3,5,6,7-tetramethylpyrazolo[1,5-a]pyrimidine;2,3,5,8-tetramethylpyrido[3,4-b]pyrazine;2,3,6,8-tetramethylpyrido[3,2-d]pyrimidin-4-one;3,5,6,7-tetramethylthieno[3,2-b]pyridine;4,5,7-trimethyl-2,1,3-benzothiadiazole;4,6,7-trimethyl-1,3-benzothiazole;4,6,7-trimethyl-1,3-benzoxazole;2,3,7-trimethylthieno[2,3-b]pyrazine is sourced from PubChem (CID 157312010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).