6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine

C186H249N17O7S4 — CID 157072823

IUPAC6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)c1cc2cc(C(C)C)oc2cn1.CC(C)c1cc2ccc(C(C)(C)C)cc2o1.CC(C)c1cc2ncc(C(C)(C)C)cc2o1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nn(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2n1.CC(C)c1ccc2oc(C(C)C)nc2c1.CC(C)c1ccc2sc(C(C)C)nc2c1.CC(C)c1ccc2sc(C(C)C)nc2n1.CC(C)c1cnc2oc(C(C)C)cc2c1.CC(C)c1cnc2sc(C(C)C)nc2c1.CC(C)c1nc2ccc(C(C)(C)C)cc2s1.CC(C)n1cc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C15H20O.C14H20N2.C14H19NO.C14H19NS.C14H18O.2C13H18N2.4C13H17NO.C13H17NS.2C12H16N2S/c1-10(2)13-8-11-6-7-12(15(3,4)5)9-14(11)16-13;1-10(2)16-9-11-6-7-12(14(3,4)5)8-13(11)15-16;1-9(2)12-7-11-13(16-12)6-10(8-15-11)14(3,4)5;1-9(2)13-15-11-7-6-10(14(3,4)5)8-12(11)16-13;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-9(2)11-5-6-13-12(7-11)8-15(14-13)10(3)4;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)14-7-11;1-8(2)10-5-6-12-11(14-10)7-13(15-12)9(3)4;2*1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-7(2)9-5-10-12(13-6-9)15-11(14-10)8(3)4;1-7(2)9-5-6-10-11(13-9)14-12(15-10)8(3)4/h2*6-10H,1-5H3;2*6-9H,1-5H3;3*5-10H,1-4H3;5*5-9H,1-4H3;2*5-8H,1-4H3
InChIKeyACQBDORVTLPUGY-UHFFFAOYSA-N
MW2963.42 g/mol
LogP58.45
Rot. Bonds24

About 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine

6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 157072823) has the molecular formula C186H249N17O7S4 and a molecular weight of 2963.42 g/mol. Its IUPAC name is 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID157072823
Molecular FormulaC186H249N17O7S4
Molecular Weight2963.42 g/mol
Exact Mass2960.85
IUPAC Name6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)c1cc2cc(C(C)C)oc2cn1.CC(C)c1cc2ccc(C(C)(C)C)cc2o1.CC(C)c1cc2ncc(C(C)(C)C)cc2o1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nn(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2n1.CC(C)c1ccc2oc(C(C)C)nc2c1.CC(C)c1ccc2sc(C(C)C)nc2c1.CC(C)c1ccc2sc(C(C)C)nc2n1.CC(C)c1cnc2oc(C(C)C)cc2c1.CC(C)c1cnc2sc(C(C)C)nc2c1.CC(C)c1nc2ccc(C(C)(C)C)cc2s1.CC(C)n1cc2ccc(C(C)(C)C)cc2n1
InChIInChI=1S/C15H20O.C14H20N2.C14H19NO.C14H19NS.C14H18O.2C13H18N2.4C13H17NO.C13H17NS.2C12H16N2S/c1-10(2)13-8-11-6-7-12(15(3,4)5)9-14(11)16-13;1-10(2)16-9-11-6-7-12(14(3,4)5)8-13(11)15-16;1-9(2)12-7-11-13(16-12)6-10(8-15-11)14(3,4)5;1-9(2)13-15-11-7-6-10(14(3,4)5)8-12(11)16-13;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-9(2)11-5-6-13-12(7-11)8-15(14-13)10(3)4;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)14-7-11;1-8(2)10-5-6-12-11(14-10)7-13(15-12)9(3)4;2*1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-7(2)9-5-10-12(13-6-9)15-11(14-10)8(3)4;1-7(2)9-5-6-10-11(13-9)14-12(15-10)8(3)4/h2*6-10H,1-5H3;2*6-9H,1-5H3;3*5-10H,1-4H3;5*5-9H,1-4H3;2*5-8H,1-4H3
InChIKeyACQBDORVTLPUGY-UHFFFAOYSA-N
XLogP58.45
TPSA286.71 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002963.42
LogP ≤ 558.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
CID 159159957
CID 159159957
1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 159270987
CID 159306406
CID 159306406
6-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methyl-4-pyridinyl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzothiazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-oxazole;5-[4-[2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-5-methylpyrimidin-4-yl]phenyl]-2-methyl-1,3-thiazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-methylthieno[2,3-c]pyridin-3-yl]-2-methyl-1,3-oxazole;5-[7-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-2-propan-2-ylthieno[2,3-c]pyridin-3-yl]-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-benzoxazole;5-[4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidin-7-yl]-2-(2,2-dimethylpropyl)-1,3-benzoxazole;hexakis(3,7-diethyl-6-hydroxynon-5-en-4-one);hexakis(iridium)
CID 159625514
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 159678045
CID 159678045
CID 160462532
CID 160462532
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
2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160830901

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 157072823) is 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine is CC(C)c1cc2cc(C(C)C)oc2cn1.CC(C)c1cc2ccc(C(C)(C)C)cc2o1.CC(C)c1cc2ncc(C(C)(C)C)cc2o1.CC(C)c1ccc2nc(C(C)C)cn2c1.CC(C)c1ccc2nn(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2c1.CC(C)c1ccc2oc(C(C)C)cc2n1.CC(C)c1ccc2oc(C(C)C)nc2c1.CC(C)c1ccc2sc(C(C)C)nc2c1.CC(C)c1ccc2sc(C(C)C)nc2n1.CC(C)c1cnc2oc(C(C)C)cc2c1.CC(C)c1cnc2sc(C(C)C)nc2c1.CC(C)c1nc2ccc(C(C)(C)C)cc2s1.CC(C)n1cc2ccc(C(C)(C)C)cc2n1.
What is the InChIKey of 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is ACQBDORVTLPUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O.C14H20N2.C14H19NO.C14H19NS.C14H18O.2C13H18N2.4C13H17NO.C13H17NS.2C12H16N2S/c1-10(2)13-8-11-6-7-12(15(3,4)5)9-14(11)16-13;1-10(2)16-9-11-6-7-12(14(3,4)5)8-13(11)15-16;1-9(2)12-7-11-13(16-12)6-10(8-15-11)14(3,4)5;1-9(2)13-15-11-7-6-10(14(3,4)5)8-12(11)16-13;1-9(2)11-5-6-13-12(7-11)8-14(15-13)10(3)4;1-9(2)11-5-6-13-14-12(10(3)4)8-15(13)7-11;1-9(2)11-5-6-13-12(7-11)8-15(14-13)10(3)4;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-8(2)11-5-10-6-12(9(3)4)15-13(10)14-7-11;1-8(2)10-5-6-12-11(14-10)7-13(15-12)9(3)4;2*1-8(2)10-5-6-12-11(7-10)14-13(15-12)9(3)4;1-7(2)9-5-10-12(13-6-9)15-11(14-10)8(3)4;1-7(2)9-5-6-10-11(13-9)14-12(15-10)8(3)4/h2*6-10H,1-5H3;2*6-9H,1-5H3;3*5-10H,1-4H3;5*5-9H,1-4H3;2*5-8H,1-4H3.
What are the key properties of 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine?
6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2963.42 g/mol, XLogP of 58.45, 24 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 157072823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).