6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane

C219H307F3N24O10S — CID 161004970

IUPAC6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
SMILESC=C1CCc2ccc(C(C)(C)C)cc21.CC(=O)NC(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)c1ccc2c(c1)C=CC(=O)C2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NC(=O)C(=O)C2.CC(C)(C)c1ccc2ccc(=O)[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccn2ncnc2c1.CC1=Nc2cc(C(C)(C)C)ccc2C1.COC(C)(C)C(C)(C)C.COCCC(C)(C)C.C[C@H](C(C)(C)C)C(F)(F)F.Cn1c(=O)c(=O)n(O)c2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H16O.C14H18.C13H16N2O3.C13H15NO2.C13H15NO.C13H17N.2C12H16N2.C12H14N2.C12H15N.2C11H14N2.C11H13NS.2C10H13N3.C8H17NO.C8H18O.C8H18.C7H13F3.C7H16O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-10-5-6-11-7-8-12(9-13(10)11)14(2,3)4;1-13(2,3)8-5-6-9-10(7-8)14(4)11(16)12(17)15(9)18;1-13(2,3)9-5-4-8-6-11(15)12(16)14-10(8)7-9;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-6(8(3,4)5)9-7(2)10;1-7(2,3)8(4,5)9-6;1-7(2,3)8(4,5)6;1-5(6(2,3)4)7(8,9)10;1-7(2,3)5-6-8-4/h4-8H,9H2,1-3H3;7-9H,1,5-6H2,2-4H3;5-7,18H,1-4H3;4-5,7H,6H2,1-3H3,(H,14,16);4-8H,1-3H3,(H,14,15);5-6,8H,7H2,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;6H,1-5H3,(H,9,10);1-6H3;1-6H3;5H,1-4H3;5-6H2,1-4H3/t;;;;;;;;;;;;;;;;;;5-;/m..................1./s1
InChIKeyTWJQHVZVWSKBCV-KEHWTYODSA-N
MW3525.08 g/mol
LogP54.02
Rot. Bonds4

About 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane

6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane (PubChem CID 161004970) has the molecular formula C219H307F3N24O10S and a molecular weight of 3525.08 g/mol. Its IUPAC name is 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane.

Molecular Properties

Compound Name6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
PubChem CID161004970
Molecular FormulaC219H307F3N24O10S
Molecular Weight3525.08 g/mol
Exact Mass3522.39
IUPAC Name6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
SMILESC=C1CCc2ccc(C(C)(C)C)cc21.CC(=O)NC(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)c1ccc2c(c1)C=CC(=O)C2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NC(=O)C(=O)C2.CC(C)(C)c1ccc2ccc(=O)[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccn2ncnc2c1.CC1=Nc2cc(C(C)(C)C)ccc2C1.COC(C)(C)C(C)(C)C.COCCC(C)(C)C.C[C@H](C(C)(C)C)C(F)(F)F.Cn1c(=O)c(=O)n(O)c2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C14H16O.C14H18.C13H16N2O3.C13H15NO2.C13H15NO.C13H17N.2C12H16N2.C12H14N2.C12H15N.2C11H14N2.C11H13NS.2C10H13N3.C8H17NO.C8H18O.C8H18.C7H13F3.C7H16O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-10-5-6-11-7-8-12(9-13(10)11)14(2,3)4;1-13(2,3)8-5-6-9-10(7-8)14(4)11(16)12(17)15(9)18;1-13(2,3)9-5-4-8-6-11(15)12(16)14-10(8)7-9;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-6(8(3,4)5)9-7(2)10;1-7(2,3)8(4,5)9-6;1-7(2,3)8(4,5)6;1-5(6(2,3)4)7(8,9)10;1-7(2,3)5-6-8-4/h4-8H,9H2,1-3H3;7-9H,1,5-6H2,2-4H3;5-7,18H,1-4H3;4-5,7H,6H2,1-3H3,(H,14,16);4-8H,1-3H3,(H,14,15);5-6,8H,7H2,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;6H,1-5H3,(H,9,10);1-6H3;1-6H3;5H,1-4H3;5-6H2,1-4H3/t;;;;;;;;;;;;;;;;;;5-;/m..................1./s1
InChIKeyTWJQHVZVWSKBCV-KEHWTYODSA-N
XLogP54.02
TPSA401.90 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds4
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003525.08
LogP ≤ 554.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane with MolForge

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Launch Full Analysis

Related Compounds

2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;4-propan-2-yloxane;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159019858
1-[3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methylphenyl]-2-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]ethanone;3-[2-[8-(carbamoylamino)imidazo[1,2-a]pyridin-3-yl]ethynyl]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide;1-[4-[2-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-oxoethyl]-2-(trifluoromethyl)anilino]butan-2-one;1-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 159758650
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-cyclopentyl-6-[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-methyl-5-(1,3-thiazol-2-yl)-2-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 161654766
1-[2-[[2-[7-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]imidazo[1,2-a]pyridin-6-yl]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 172391006
(2S)-1-[(2S)-2-[[2-[7-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]imidazo[1,2-a]pyridin-6-yl]acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 172391125
1-[3-(2,1,3-benzothiadiazol-5-yl)-1H-isoindol-5-yl]-2-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]ethanone;1-[3-(1,3-benzothiazol-2-yl)-1H-isoindol-5-yl]-2-[(3S)-5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]ethanone;1-[3-(1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]-2-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-isoindol-5-yl]-2-[(3S,5S)-5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-isoindol-5-yl]-2-[(3S,5R)-5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]ethanone;2-[5-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone
CID 157661170
6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyltetrazolo[1,5-a]pyridine;7-tert-butyltetrazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;2,2-dimethylpentane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutanoic acid
CID 158674694
6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1-hydroxy-4-methyl-3-methylidenequinoxalin-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;7-tert-butyl-2-methylidene-1H-quinoline;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;2,2-dimethylpentane;2,2,3,3-tetramethylbutane;2,2,3,3-tetramethylbutanoic acid
CID 159523786
2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butylisoquinoline;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;methane;methyl 6-tert-butyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 159774359
N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline
CID 160634732
6-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-1-hydroxy-4-methyl-3-methylidenequinoxalin-2-one;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-1H-indole;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methylidene-1H-naphthalene;7-tert-butyl-2-methylidene-1H-quinoline;6-tert-butyl-2-methyl-3H-indole;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2,2-dimethylpentane;3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutanoic acid
CID 161140703
6-[4-(5-aminopyrazol-1-yl)phenyl]-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1,3-benzothiazol-6-yl)-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;pentakis(carbon dioxide);6-imidazo[1,2-a]pyridin-6-yl-2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one;2-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyrimidin-5-yl-3H-isoindol-1-one
CID 161354646

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane?
The IUPAC name of 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane (CID 161004970) is 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane.
What is the SMILES notation for 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane?
The canonical SMILES for 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane is C=C1CCc2ccc(C(C)(C)C)cc21.CC(=O)NC(C)C(C)(C)C.CC(C)(C)C(C)(C)C.CC(C)(C)c1ccc2c(c1)C=CC(=O)C2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2c(c1)NC(=O)C(=O)C2.CC(C)(C)c1ccc2ccc(=O)[nH]c2c1.CC(C)(C)c1ccc2nccn2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2ncnn2c1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1ccn2ccnc2c1.CC(C)(C)c1ccn2ncnc2c1.CC1=Nc2cc(C(C)(C)C)ccc2C1.COC(C)(C)C(C)(C)C.COCCC(C)(C)C.C[C@H](C(C)(C)C)C(F)(F)F.Cn1c(=O)c(=O)n(O)c2ccc(C(C)(C)C)cc21.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane?
The InChIKey is TWJQHVZVWSKBCV-KEHWTYODSA-N. The full InChI is InChI=1S/C14H16O.C14H18.C13H16N2O3.C13H15NO2.C13H15NO.C13H17N.2C12H16N2.C12H14N2.C12H15N.2C11H14N2.C11H13NS.2C10H13N3.C8H17NO.C8H18O.C8H18.C7H13F3.C7H16O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-10-5-6-11-7-8-12(9-13(10)11)14(2,3)4;1-13(2,3)8-5-6-9-10(7-8)14(4)11(16)12(17)15(9)18;1-13(2,3)9-5-4-8-6-11(15)12(16)14-10(8)7-9;1-13(2,3)10-6-4-9-5-7-12(15)14-11(9)8-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-12(2,3)9-5-6-11-10(7-9)13-8-14(11)4;1-12(2,3)9-5-6-10-11(7-9)14(4)8-13-10;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-11(2,3)9-4-6-13-7-5-12-10(13)8-9;1-11(2,3)9-4-5-10-12-6-7-13(10)8-9;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-4-5-13-9(6-8)11-7-12-13;1-10(2,3)8-4-5-9-11-7-12-13(9)6-8;1-6(8(3,4)5)9-7(2)10;1-7(2,3)8(4,5)9-6;1-7(2,3)8(4,5)6;1-5(6(2,3)4)7(8,9)10;1-7(2,3)5-6-8-4/h4-8H,9H2,1-3H3;7-9H,1,5-6H2,2-4H3;5-7,18H,1-4H3;4-5,7H,6H2,1-3H3,(H,14,16);4-8H,1-3H3,(H,14,15);5-6,8H,7H2,1-4H3;2*5-8H,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;6H,1-5H3,(H,9,10);1-6H3;1-6H3;5H,1-4H3;5-6H2,1-4H3/t;;;;;;;;;;;;;;;;;;5-;/m..................1./s1.
What are the key properties of 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane?
6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane has a molecular weight of 3525.08 g/mol, XLogP of 54.02, 4 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane is sourced from PubChem (CID 161004970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).