tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine

C187H290ClF2N21O5S6 — CID 158292800

IUPACtert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCCC1.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc(OC(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncs1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)Oc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)s1.Cc1nccc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.[2H]C([2H])([2H])Oc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C12H19NO.C10H13F2NO.C10H15NO2S.C10H15NO.3C10H15N.C10H14.C9H14N2.C9H13N.C9H14S.C9H18.C8H11ClS.C8H14N2.3C8H12N2.C8H13NS.2C7H11NS.C7H14/c1-9(2)14-10-6-7-11(13-8-10)12(3,4)5;1-10(2,3)8-5-4-7(6-13-8)14-9(11)12;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-10(2,3)9-6-5-8(12-4)7-11-9;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6/h6-9H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;8H,4-7H2,1-3H3;4-5H,1-3H3;5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;2*4-5H,1-3H3;6H,4-5H2,1-3H3/i;;;4D3;;;;;;;;;;;;;;;;;
InChIKeyGLOGAPBYBKXBNG-IDIYOWDUSA-N
MW3181.39 g/mol
LogP53.21
Rot. Bonds7

About tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine

tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine (PubChem CID 158292800) has the molecular formula C187H290ClF2N21O5S6 and a molecular weight of 3181.39 g/mol. Its IUPAC name is tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine.

Molecular Properties

Compound Nametert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine
PubChem CID158292800
Molecular FormulaC187H290ClF2N21O5S6
Molecular Weight3181.39 g/mol
Exact Mass3178.13
IUPAC Nametert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCCC1.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc(OC(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncs1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)Oc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)s1.Cc1nccc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.[2H]C([2H])([2H])Oc1ccc(C(C)(C)C)nc1
InChIInChI=1S/C12H19NO.C10H13F2NO.C10H15NO2S.C10H15NO.3C10H15N.C10H14.C9H14N2.C9H13N.C9H14S.C9H18.C8H11ClS.C8H14N2.3C8H12N2.C8H13NS.2C7H11NS.C7H14/c1-9(2)14-10-6-7-11(13-8-10)12(3,4)5;1-10(2,3)8-5-4-7(6-13-8)14-9(11)12;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-10(2,3)9-6-5-8(12-4)7-11-9;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6/h6-9H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;8H,4-7H2,1-3H3;4-5H,1-3H3;5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;2*4-5H,1-3H3;6H,4-5H2,1-3H3/i;;;4D3;;;;;;;;;;;;;;;;;
InChIKeyGLOGAPBYBKXBNG-IDIYOWDUSA-N
XLogP53.21
TPSA324.56 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds7
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003181.39
LogP ≤ 553.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine with MolForge

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Related Compounds

2-[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
CID 157423578
3-chloro-5-methylpyridine;2-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrazin-2-amine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;3-fluoro-2-methylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-piperidin-1-ylpyridine;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;5-(trifluoromethyl)-1H-pyrazole;3-(trifluoromethyl)pyridine
CID 157597972
5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
CID 159772683
2-[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]-4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-1,3-thiazole;4-[[2-fluoro-4-(triazol-1-yl)phenoxy]methyl]-2-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazole;4-[[6-(triazol-1-yl)-3-pyridinyl]oxymethyl]-2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,3-thiazole
CID 161571940
Cumene;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3-thiazole;4-(difluoromethyl)-2-propan-2-ylpyrimidine;2,4-difluoro-1-propan-2-ylbenzene;1-(2,2-difluoropropyl)-3-propan-2-ylpyrazole;2,5-dimethyl-2-methylsulfonylhex-3-yne;2-ethoxy-5-propan-2-ylpyridine;5-ethoxy-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-ylpyrimidine;5-fluoro-2-propan-2-ylpyrimidine;2-methoxy-2,5-dimethylhexane;2-methoxy-2,5-dimethylhex-3-yne;2-methoxy-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;4-methyl-2-propan-2-ylpyrimidine;1-methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylsulfonyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrimidine;2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;2-(5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol;5-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
CID 167665522
1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;(2R)-2-methoxy-4-methylpentane;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;3-methyl-1-(2-methylpropoxy)butane;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,6-trimethylheptane;2,5,5-trimethylheptane;2,2,5-trimethylhexane
CID 160018804
5-Bromo-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;2-fluoro-3-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;4-methoxy-2-propan-2-ylpyrimidine;5-methoxy-2-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylpyrazole;5-methylsulfonyl-2-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1-benzofuran;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile;4-propan-2-ylpyrimidin-2-amine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 160092989
2-Tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine
CID 160779674
1-butoxy-3-methylbutane;2-(1-cyclopropyl-2-methylpropyl)pyrimidine;[(2R)-3-methylbutan-2-yl]cyclopentane;[(2S)-3-methylbutan-2-yl]cyclopentane;3-methylbutoxybenzene;3-methylbutoxycyclopropane;3-methylbutylcyclopropane;1-(3-methylbutyl)imidazole;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrazole;4-(3-methylbutyl)-1,4-thiazinane 1,1-dioxide;2-(3-methylbutyl)-1,3-thiazole;4-methyl-1-methylsulfonylpentane;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-1-propan-2-yloxybutane;2-methylpropylbenzene;2-methylpropylcyclopentane;2-(2-methylpropyl)-1,3-oxazole;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)-1,3-thiazole;2,2,5-trimethylhexane
CID 162213651

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine?
The IUPAC name of tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine (CID 158292800) is tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine.
What is the SMILES notation for tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine?
The canonical SMILES for tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine is CC(C)(C)C1CC1.CC(C)(C)C1CCCC1.CC(C)(C)c1ccc(Cl)s1.CC(C)(C)c1ccc(OC(F)F)cn1.CC(C)(C)c1ccc(S(C)(=O)=O)cn1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncs1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.CC(C)Oc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)nc1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)s1.Cc1nccc(C(C)(C)C)n1.Cn1cc(C(C)(C)C)cn1.[2H]C([2H])([2H])Oc1ccc(C(C)(C)C)nc1.
What is the InChIKey of tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine?
The InChIKey is GLOGAPBYBKXBNG-IDIYOWDUSA-N. The full InChI is InChI=1S/C12H19NO.C10H13F2NO.C10H15NO2S.C10H15NO.3C10H15N.C10H14.C9H14N2.C9H13N.C9H14S.C9H18.C8H11ClS.C8H14N2.3C8H12N2.C8H13NS.2C7H11NS.C7H14/c1-9(2)14-10-6-7-11(13-8-10)12(3,4)5;1-10(2,3)8-5-4-7(6-13-8)14-9(11)12;1-10(2,3)9-6-5-8(7-11-9)14(4,12)13;1-10(2,3)9-6-5-8(12-4)7-11-9;2*1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-7-10-6-5-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-4-5-7(9)10-6;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6/h6-9H,1-5H3;4-6,9H,1-3H3;5-7H,1-4H3;5-7H,1-4H3;3*5-7H,1-4H3;4-8H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;8H,4-7H2,1-3H3;4-5H,1-3H3;5-6H,1-4H3;3*4-6H,1-3H3;5H,1-4H3;2*4-5H,1-3H3;6H,4-5H2,1-3H3/i;;;4D3;;;;;;;;;;;;;;;;;.
What are the key properties of tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine?
tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine has a molecular weight of 3181.39 g/mol, XLogP of 53.21, 7 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine is sourced from PubChem (CID 158292800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).