1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

C151H199F7N18O11S3 — CID 160813939

IUPAC1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCC(C)(C)C12CCCC1C2.CC(C)(C)c1cc2c(cc1F)OC(F)(F)O2.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1nc2c(s1)C(=O)NC2.CC(C)(C)c1nc2ccc(F)c(F)c2n1C1CCCC1.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC1CC(=O)NN1c1ncccc1C(C)(C)C.CC1CC1c1cc(C(C)(C)C)on1.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.CS(=O)c1ccc2c(C(C)(C)C)ccnc2c1.Cc1noc(C(C)(C)C)c1C(N)=O
InChIInChI=1S/C16H20F2N2.C16H16FN3.C16H18FNS.C15H21NO.C14H17NOS.C13H19N3O.C11H11F3O2.C11H16N2O2.C11H17NO.C10H18.C9H14N2O2.C9H12N2OS/c1-16(2,3)15-19-12-9-8-11(17)13(18)14(12)20(15)10-6-4-5-7-10;1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-10(2)13-4-3-5-14-15(13)19-16(18-14)11-6-8-12(17)9-7-11;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-14(2,3)12-7-8-15-13-9-10(17(4)16)5-6-11(12)13;1-9-8-11(17)15-16(9)12-10(13(2,3)4)6-5-7-14-12;1-10(2,3)6-4-8-9(5-7(6)12)16-11(13,14)15-8;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-7-5-8(7)9-6-10(13-12-9)11(2,3)4;1-9(2,3)10-6-4-5-8(10)7-10;1-5-6(8(10)12)7(13-11-5)9(2,3)4;1-9(2,3)8-11-5-4-10-7(12)6(5)13-8/h8-10H,4-7H2,1-3H3;4-9,19H,1-3H3;6-10,13H,3-5H2,1-2H3;7-9,13H,6H2,1-5H3;5-9H,1-4H3;5-7,9H,8H2,1-4H3,(H,15,17);4-5H,1-3H3;4,6,8H,5,7H2,1-3H3;6-8H,5H2,1-4H3;8H,4-7H2,1-3H3;1-4H3,(H2,10,12);4H2,1-3H3,(H,10,12)
InChIKeySEQSVARGTGZCLG-UHFFFAOYSA-N
MW2671.55 g/mol
LogP37.08
Rot. Bonds10

About 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 160813939) has the molecular formula C151H199F7N18O11S3 and a molecular weight of 2671.55 g/mol. Its IUPAC name is 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID160813939
Molecular FormulaC151H199F7N18O11S3
Molecular Weight2671.55 g/mol
Exact Mass2669.46
IUPAC Name1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCC(C)(C)C12CCCC1C2.CC(C)(C)c1cc2c(cc1F)OC(F)(F)O2.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1nc2c(s1)C(=O)NC2.CC(C)(C)c1nc2ccc(F)c(F)c2n1C1CCCC1.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC1CC(=O)NN1c1ncccc1C(C)(C)C.CC1CC1c1cc(C(C)(C)C)on1.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.CS(=O)c1ccc2c(C(C)(C)C)ccnc2c1.Cc1noc(C(C)(C)C)c1C(N)=O
InChIInChI=1S/C16H20F2N2.C16H16FN3.C16H18FNS.C15H21NO.C14H17NOS.C13H19N3O.C11H11F3O2.C11H16N2O2.C11H17NO.C10H18.C9H14N2O2.C9H12N2OS/c1-16(2,3)15-19-12-9-8-11(17)13(18)14(12)20(15)10-6-4-5-7-10;1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-10(2)13-4-3-5-14-15(13)19-16(18-14)11-6-8-12(17)9-7-11;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-14(2,3)12-7-8-15-13-9-10(17(4)16)5-6-11(12)13;1-9-8-11(17)15-16(9)12-10(13(2,3)4)6-5-7-14-12;1-10(2,3)6-4-8-9(5-7(6)12)16-11(13,14)15-8;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-7-5-8(7)9-6-10(13-12-9)11(2,3)4;1-9(2,3)10-6-4-5-8(10)7-10;1-5-6(8(10)12)7(13-11-5)9(2,3)4;1-9(2,3)8-11-5-4-10-7(12)6(5)13-8/h8-10H,4-7H2,1-3H3;4-9,19H,1-3H3;6-10,13H,3-5H2,1-2H3;7-9,13H,6H2,1-5H3;5-9H,1-4H3;5-7,9H,8H2,1-4H3,(H,15,17);4-5H,1-3H3;4,6,8H,5,7H2,1-3H3;6-8H,5H2,1-4H3;8H,4-7H2,1-3H3;1-4H3,(H2,10,12);4H2,1-3H3,(H,10,12)
InChIKeySEQSVARGTGZCLG-UHFFFAOYSA-N
XLogP37.08
TPSA367.50 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds10
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002671.55
LogP ≤ 537.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 157166683
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;4-tert-butyl-7-methylsulfinylquinoline;5-tert-butyl-1,2-oxazole-4-carboxamide;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole
CID 157725020
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;1-tert-butyl-7-methoxyindolizine;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 157888409
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-2-methylidene-3H-indole;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole
CID 157934656
1-Tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole
CID 157965818
1-Tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;methane
CID 158411121
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole
CID 158492283
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-2-methylidene-3H-indole;5-tert-butyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole
CID 159181182
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 159729827
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;methane
CID 160504524
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;4-tert-butyl-7-methylsulfinylquinoline;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole
CID 161206530
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole
CID 161280096

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 160813939) is 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is CC(C)(C)C12CCCC1C2.CC(C)(C)c1cc2c(cc1F)OC(F)(F)O2.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1nc2c(s1)C(=O)NC2.CC(C)(C)c1nc2ccc(F)c(F)c2n1C1CCCC1.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC1CC(=O)NN1c1ncccc1C(C)(C)C.CC1CC1c1cc(C(C)(C)C)on1.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.CS(=O)c1ccc2c(C(C)(C)C)ccnc2c1.Cc1noc(C(C)(C)C)c1C(N)=O.
What is the InChIKey of 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is SEQSVARGTGZCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2.C16H16FN3.C16H18FNS.C15H21NO.C14H17NOS.C13H19N3O.C11H11F3O2.C11H16N2O2.C11H17NO.C10H18.C9H14N2O2.C9H12N2OS/c1-16(2,3)15-19-12-9-8-11(17)13(18)14(12)20(15)10-6-4-5-7-10;1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-10(2)13-4-3-5-14-15(13)19-16(18-14)11-6-8-12(17)9-7-11;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-14(2,3)12-7-8-15-13-9-10(17(4)16)5-6-11(12)13;1-9-8-11(17)15-16(9)12-10(13(2,3)4)6-5-7-14-12;1-10(2,3)6-4-8-9(5-7(6)12)16-11(13,14)15-8;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-7-5-8(7)9-6-10(13-12-9)11(2,3)4;1-9(2,3)10-6-4-5-8(10)7-10;1-5-6(8(10)12)7(13-11-5)9(2,3)4;1-9(2,3)8-11-5-4-10-7(12)6(5)13-8/h8-10H,4-7H2,1-3H3;4-9,19H,1-3H3;6-10,13H,3-5H2,1-2H3;7-9,13H,6H2,1-5H3;5-9H,1-4H3;5-7,9H,8H2,1-4H3,(H,15,17);4-5H,1-3H3;4,6,8H,5,7H2,1-3H3;6-8H,5H2,1-4H3;8H,4-7H2,1-3H3;1-4H3,(H2,10,12);4H2,1-3H3,(H,10,12).
What are the key properties of 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 2671.55 g/mol, XLogP of 37.08, 10 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;2-tert-butyl-4,5-dihydropyrrolo[3,4-d][1,3]thiazol-6-one;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole-4-carboxamide;4-tert-butyl-7-methylsulfinylquinoline;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;1-(3-tert-butyl-2-pyridinyl)-5-methylpyrazolidin-3-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;5-tert-butyl-2,2,6-trifluoro-1,3-benzodioxole;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 160813939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).