2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran

C219H334N22O7S6 — CID 159598036

IUPAC2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran
SMILESC.CC(C)(C)Cc1cc2ccccc2s1.CC(C)(C)Cc1cc[nH]c1.CC(C)(C)Cc1ccc2c(c1)OCCO2.CC(C)(C)Cc1ccc[nH]1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccco1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncn1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cc1cnccn1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1cocn1.CC(C)(C)Cc1cscn1.CC(C)(C)Cc1nc2ccccc2s1.CC(C)(C)Cc1ncc[nH]1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1.CC(C)Cc1cc2ccccc2o1
InChIInChI=1S/C13H18O2.C13H16S.C12H15NS.C12H14O.3C10H15N.4C9H14N2.2C9H15N.2C9H14O.2C9H14S.2C8H14N2.2C8H13NO.2C8H13NS.CH4/c1-13(2,3)9-10-4-5-11-12(8-10)15-7-6-14-11;1-13(2,3)9-11-8-10-6-4-5-7-12(10)14-11;1-12(2,3)8-11-13-9-6-4-5-7-10(9)14-11;1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)4-8-5-10-7-11-6-8;1-9(2,3)6-8-7-10-4-5-11-8;1-9(2,3)6-8-4-5-10-7-11-8;1-9(2,3)7-8-10-5-4-6-11-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;/h4-5,8H,6-7,9H2,1-3H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;3-6,8-9H,7H2,1-2H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5-7H,4H2,1-3H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7,10H,6H2,1-3H3;4-6,10H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5H,6H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;1H4
InChIKeyMLCJGXSCJBPUNA-UHFFFAOYSA-N
MW3579.63 g/mol
LogP63.56
Rot. Bonds24

About 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran

2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran (PubChem CID 159598036) has the molecular formula C219H334N22O7S6 and a molecular weight of 3579.63 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran
PubChem CID159598036
Molecular FormulaC219H334N22O7S6
Molecular Weight3579.63 g/mol
Exact Mass3576.48
IUPAC Name2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran
SMILESC.CC(C)(C)Cc1cc2ccccc2s1.CC(C)(C)Cc1cc[nH]c1.CC(C)(C)Cc1ccc2c(c1)OCCO2.CC(C)(C)Cc1ccc[nH]1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccco1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncn1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cc1cnccn1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1cocn1.CC(C)(C)Cc1cscn1.CC(C)(C)Cc1nc2ccccc2s1.CC(C)(C)Cc1ncc[nH]1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1.CC(C)Cc1cc2ccccc2o1
InChIInChI=1S/C13H18O2.C13H16S.C12H15NS.C12H14O.3C10H15N.4C9H14N2.2C9H15N.2C9H14O.2C9H14S.2C8H14N2.2C8H13NO.2C8H13NS.CH4/c1-13(2,3)9-10-4-5-11-12(8-10)15-7-6-14-11;1-13(2,3)9-11-8-10-6-4-5-7-12(10)14-11;1-12(2,3)8-11-13-9-6-4-5-7-10(9)14-11;1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)4-8-5-10-7-11-6-8;1-9(2,3)6-8-7-10-4-5-11-8;1-9(2,3)6-8-4-5-10-7-11-8;1-9(2,3)7-8-10-5-4-6-11-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;/h4-5,8H,6-7,9H2,1-3H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;3-6,8-9H,7H2,1-2H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5-7H,4H2,1-3H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7,10H,6H2,1-3H3;4-6,10H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5H,6H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;1H4
InChIKeyMLCJGXSCJBPUNA-UHFFFAOYSA-N
XLogP63.56
TPSA379.34 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003579.63
LogP ≤ 563.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran with MolForge

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Related Compounds

4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158049358
5-(azepan-1-ylmethyl)-2-methyl-1,3-thiazole;4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 158180810
CID 158239552
CID 158239552
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
5-Tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 160389507
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536
1-cyclopentyl-3-propan-2-ylbenzene;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161044231
cumene;1-cyclopropyloxy-2-methoxy-4-propan-2-ylbenzene;2-methoxy-6-propan-2-yl-1,3-benzothiazole;2-(2-methoxy-4-propan-2-ylphenoxy)ethanol;2-methoxy-4-propan-2-ylpyrimidine;2-methoxy-5-propan-2-yl-1,3-thiazole;2-methyl-6-propan-2-yl-1H-benzimidazole;2-methyl-6-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-ylfuran;bis(2-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;2-methyl-4-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;6-propan-2-yl-4H-1,4-benzoxazin-3-one;(5-propan-2-ylpyrimidin-2-yl)methanol;4-propan-2-yl-2-(trifluoromethoxy)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 167580147
2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
CID 141151189

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran?
The IUPAC name of 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran (CID 159598036) is 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran is C.CC(C)(C)Cc1cc2ccccc2s1.CC(C)(C)Cc1cc[nH]c1.CC(C)(C)Cc1ccc2c(c1)OCCO2.CC(C)(C)Cc1ccc[nH]1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccco1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccncn1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1cnc[nH]1.CC(C)(C)Cc1cnccn1.CC(C)(C)Cc1cncnc1.CC(C)(C)Cc1cocn1.CC(C)(C)Cc1cscn1.CC(C)(C)Cc1nc2ccccc2s1.CC(C)(C)Cc1ncc[nH]1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1.CC(C)Cc1cc2ccccc2o1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran?
The InChIKey is MLCJGXSCJBPUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C13H16S.C12H15NS.C12H14O.3C10H15N.4C9H14N2.2C9H15N.2C9H14O.2C9H14S.2C8H14N2.2C8H13NO.2C8H13NS.CH4/c1-13(2,3)9-10-4-5-11-12(8-10)15-7-6-14-11;1-13(2,3)9-11-8-10-6-4-5-7-12(10)14-11;1-12(2,3)8-11-13-9-6-4-5-7-10(9)14-11;1-9(2)7-11-8-10-5-3-4-6-12(10)13-11;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)4-8-5-10-7-11-6-8;1-9(2,3)6-8-7-10-4-5-11-8;1-9(2,3)6-8-4-5-10-7-11-8;1-9(2,3)7-8-10-5-4-6-11-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-8(2,3)4-7-5-9-6-10-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;1-8(2,3)4-7-5-10-6-9-7;1-8(2,3)6-7-9-4-5-10-7;/h4-5,8H,6-7,9H2,1-3H3;4-8H,9H2,1-3H3;4-7H,8H2,1-3H3;3-6,8-9H,7H2,1-2H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;5-7H,4H2,1-3H3;2*4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7,10H,6H2,1-3H3;4-6,10H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3,(H,9,10);4-5H,6H2,1-3H3,(H,9,10);5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;1H4.
What are the key properties of 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran?
2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran has a molecular weight of 3579.63 g/mol, XLogP of 63.56, 24 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1,3-benzothiazole;2-(2,2-dimethylpropyl)-1-benzothiophene;6-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1H-imidazole;5-(2,2-dimethylpropyl)-1H-imidazole;2-(2,2-dimethylpropyl)-1,3-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)pyrazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-1H-pyrrole;3-(2,2-dimethylpropyl)-1H-pyrrole;2-(2,2-dimethylpropyl)-1,3-thiazole;4-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane;2-(2-methylpropyl)-1-benzofuran is sourced from PubChem (CID 159598036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).