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

C214H298N24O6S — CID 161140703

IUPAC6-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
SMILESC=C(C)NC(C)C(C)(C)C.C=C1C(=O)N(O)c2ccc(C(C)(C)C)cc2N1C.C=C1C=Cc2cc(C(C)(C)C)ccc2C1.C=C1C=Cc2ccc(C(C)(C)C)cc2N1.CC(C)(C)C(C)(C)C(=O)O.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2cc[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.CCCC(C)(C)C.COC(C)(C)C(C)(C)C.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H18.C14H18N2O2.C14H17N.C13H17N.C13H16O.2C12H16N2.C12H14N2.2C12H15N.2C11H14N2.C11H13NS.2C10H13N3.C9H19N.C8H16O2.C8H18O.C7H16/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-13(17)16(18)11-7-6-10(14(2,3)4)8-12(11)15(9)5;1-10-5-6-11-7-8-12(14(2,3)4)9-13(11)15-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;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;2*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;1-7(2)10-8(3)9(4,5)6;1-7(2,3)8(4,5)6(9)10;1-7(2,3)8(4,5)9-6;1-5-6-7(2,3)4/h5-8,10H,1,9H2,2-4H3;6-8,18H,1H2,2-5H3;5-9,15H,1H2,2-4H3;5-6,8H,7H2,1-4H3;4,6,8H,5,7H2,1-3H3;2*5-8H,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;8,10H,1H2,2-6H3;1-5H3,(H,9,10);1-6H3;5-6H2,1-4H3
InChIKeyUNKFBSFCNZOWQE-UHFFFAOYSA-N
MW3334.97 g/mol
LogP55.73
Rot. Bonds5

About 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

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 (PubChem CID 161140703) has the molecular formula C214H298N24O6S and a molecular weight of 3334.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID161140703
Molecular FormulaC214H298N24O6S
Molecular Weight3334.97 g/mol
Exact Mass3332.35
IUPAC Name6-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
SMILESC=C(C)NC(C)C(C)(C)C.C=C1C(=O)N(O)c2ccc(C(C)(C)C)cc2N1C.C=C1C=Cc2cc(C(C)(C)C)ccc2C1.C=C1C=Cc2ccc(C(C)(C)C)cc2N1.CC(C)(C)C(C)(C)C(=O)O.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2cc[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.CCCC(C)(C)C.COC(C)(C)C(C)(C)C.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H18.C14H18N2O2.C14H17N.C13H17N.C13H16O.2C12H16N2.C12H14N2.2C12H15N.2C11H14N2.C11H13NS.2C10H13N3.C9H19N.C8H16O2.C8H18O.C7H16/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-13(17)16(18)11-7-6-10(14(2,3)4)8-12(11)15(9)5;1-10-5-6-11-7-8-12(14(2,3)4)9-13(11)15-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;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;2*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;1-7(2)10-8(3)9(4,5)6;1-7(2,3)8(4,5)6(9)10;1-7(2,3)8(4,5)9-6;1-5-6-7(2,3)4/h5-8,10H,1,9H2,2-4H3;6-8,18H,1H2,2-5H3;5-9,15H,1H2,2-4H3;5-6,8H,7H2,1-4H3;4,6,8H,5,7H2,1-3H3;2*5-8H,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;8,10H,1H2,2-6H3;1-5H3,(H,9,10);1-6H3;5-6H2,1-4H3
InChIKeyUNKFBSFCNZOWQE-UHFFFAOYSA-N
XLogP55.73
TPSA341.24 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds5
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003334.97
LogP ≤ 555.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
6-tert-butyl-1,3-benzothiazole;8-tert-butyl-4H-1,4-benzoxazin-3-one;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-3-methylidene-4H-chromene;6-tert-butyl-2-methylidene-3,4-dihydro-1,4-benzoxazine;7-tert-butyl-3-methylidene-2,4-dihydro-1H-naphthalene;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-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 157653610
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
ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 159722420
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
ethane;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1H-quinolin-2-one;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-ylthieno[2,3-c]pyridine
CID 159841910
3-(3H-benzimidazol-5-ylmethyl)-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;2-chloro-6-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-methyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,3-benzothiazole;6-[[6-[(E)-prop-1-enyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;1-[3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]ethanone
CID 160460483
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
4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butyl-7,8-dihydronaphthalen-2-yl)-1-methylpyrazole;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-(8-tert-butylisoquinolin-3-yl)-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;4-tert-butyl-2-pyridin-3-yl-1H-benzimidazole
CID 164093311

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)NC(C)C(C)(C)C.C=C1C(=O)N(O)c2ccc(C(C)(C)C)cc2N1C.C=C1C=Cc2cc(C(C)(C)C)ccc2C1.C=C1C=Cc2ccc(C(C)(C)C)cc2N1.CC(C)(C)C(C)(C)C(=O)O.CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)N=CC2.CC(C)(C)c1ccc2cc[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.CCCC(C)(C)C.COC(C)(C)C(C)(C)C.Cn1cnc2cc(C(C)(C)C)ccc21.Cn1cnc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 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?
The InChIKey is UNKFBSFCNZOWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C14H18N2O2.C14H17N.C13H17N.C13H16O.2C12H16N2.C12H14N2.2C12H15N.2C11H14N2.C11H13NS.2C10H13N3.C9H19N.C8H16O2.C8H18O.C7H16/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-13(17)16(18)11-7-6-10(14(2,3)4)8-12(11)15(9)5;1-10-5-6-11-7-8-12(14(2,3)4)9-13(11)15-10;1-9-7-10-5-6-11(13(2,3)4)8-12(10)14-9;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;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;2*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;1-7(2)10-8(3)9(4,5)6;1-7(2,3)8(4,5)6(9)10;1-7(2,3)8(4,5)9-6;1-5-6-7(2,3)4/h5-8,10H,1,9H2,2-4H3;6-8,18H,1H2,2-5H3;5-9,15H,1H2,2-4H3;5-6,8H,7H2,1-4H3;4,6,8H,5,7H2,1-3H3;2*5-8H,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;4-8,13H,1-3H3;2*4-8H,1-3H3;3*4-7H,1-3H3;8,10H,1H2,2-6H3;1-5H3,(H,9,10);1-6H3;5-6H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3334.97 g/mol, XLogP of 55.73, 5 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161140703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).