2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane

C198H268Cl3FN16O11S5 — CID 159798047

IUPAC2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane
SMILESC.C.C.C.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1csc(-c2cccnc2)n1.CC(C)(C)c1nc2ccccc2s1.Cc1c(C(C)(C)C)csc1Cl.Cc1cc2[nH]cc(C(=O)C(N)=O)c2cc1C(C)(C)C.Cc1cc2c(cc1C(C)(C)C)c(C(=O)C(N)=O)cn2C.Cc1cc2c(ccn2C)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccsc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1nc2[nH]cc(C(=O)C(=O)N3CCC(O)C3)c2cc1C(C)(C)C.Cc1nc2c(cc1C(C)(C)C)c(C(=O)C(=O)N1CCC(O)C1)cn2C
InChIInChI=1S/C19H25N3O3.C18H23N3O3.C16H20N2O2.C16H18O.C15H18N2O2.C14H19N.C13H15N.C12H14N2S.C12H18.C11H15Cl.C11H13NS.C10H12ClF.C9H13ClS.C9H15NS.C9H14S.4CH4/c1-11-15(19(2,3)4)8-13-14(10-21(5)17(13)20-11)16(24)18(25)22-7-6-12(23)9-22;1-10-14(18(2,3)4)7-12-13(8-19-16(12)20-10)15(23)17(24)21-6-5-11(22)9-21;1-9-6-13-10(7-12(9)16(2,3)4)11(8-18(13)5)14(19)15(17)20;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-8-5-12-9(6-11(8)15(2,3)4)10(7-17-12)13(18)14(16)19;1-10-8-13-11(6-7-15(13)5)9-12(10)14(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-8-15-11(14-10)9-5-4-6-13-7-9;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-5-4-7(12)6-9(8)11;1-6-7(9(2,3)4)5-11-8(6)10;1-6-8(9(3,4)5)11-7(2)10-6;1-7-5-6-10-8(7)9(2,3)4;;;;/h8,10,12,23H,6-7,9H2,1-5H3;7-8,11,22H,5-6,9H2,1-4H3,(H,19,20);6-8H,1-5H3,(H2,17,20);4-12H,1-3H3;5-7,17H,1-4H3,(H2,16,19);6-9H,1-5H3;4-9H,1-3H3;4-8H,1-3H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3;1-5H3;5-6H,1-4H3;4*1H4
InChIKeyNJKQINOQGLIZCB-UHFFFAOYSA-N
MW3334.11 g/mol
LogP52.27
Rot. Bonds11

About 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane

2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane (PubChem CID 159798047) has the molecular formula C198H268Cl3FN16O11S5 and a molecular weight of 3334.11 g/mol. Its IUPAC name is 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane.

Molecular Properties

Compound Name2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane
PubChem CID159798047
Molecular FormulaC198H268Cl3FN16O11S5
Molecular Weight3334.11 g/mol
Exact Mass3329.86
IUPAC Name2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane
SMILESC.C.C.C.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1csc(-c2cccnc2)n1.CC(C)(C)c1nc2ccccc2s1.Cc1c(C(C)(C)C)csc1Cl.Cc1cc2[nH]cc(C(=O)C(N)=O)c2cc1C(C)(C)C.Cc1cc2c(cc1C(C)(C)C)c(C(=O)C(N)=O)cn2C.Cc1cc2c(ccn2C)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccsc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1nc2[nH]cc(C(=O)C(=O)N3CCC(O)C3)c2cc1C(C)(C)C.Cc1nc2c(cc1C(C)(C)C)c(C(=O)C(=O)N1CCC(O)C1)cn2C
InChIInChI=1S/C19H25N3O3.C18H23N3O3.C16H20N2O2.C16H18O.C15H18N2O2.C14H19N.C13H15N.C12H14N2S.C12H18.C11H15Cl.C11H13NS.C10H12ClF.C9H13ClS.C9H15NS.C9H14S.4CH4/c1-11-15(19(2,3)4)8-13-14(10-21(5)17(13)20-11)16(24)18(25)22-7-6-12(23)9-22;1-10-14(18(2,3)4)7-12-13(8-19-16(12)20-10)15(23)17(24)21-6-5-11(22)9-21;1-9-6-13-10(7-12(9)16(2,3)4)11(8-18(13)5)14(19)15(17)20;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-8-5-12-9(6-11(8)15(2,3)4)10(7-17-12)13(18)14(16)19;1-10-8-13-11(6-7-15(13)5)9-12(10)14(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-8-15-11(14-10)9-5-4-6-13-7-9;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-5-4-7(12)6-9(8)11;1-6-7(9(2,3)4)5-11-8(6)10;1-6-8(9(3,4)5)11-7(2)10-6;1-7-5-6-10-8(7)9(2,3)4;;;;/h8,10,12,23H,6-7,9H2,1-5H3;7-8,11,22H,5-6,9H2,1-4H3,(H,19,20);6-8H,1-5H3,(H2,17,20);4-12H,1-3H3;5-7,17H,1-4H3,(H2,16,19);6-9H,1-5H3;4-9H,1-3H3;4-8H,1-3H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3;1-5H3;5-6H,1-4H3;4*1H4
InChIKeyNJKQINOQGLIZCB-UHFFFAOYSA-N
XLogP52.27
TPSA381.37 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds11
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003334.11
LogP ≤ 552.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane with MolForge

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Launch Full Analysis

Related Compounds

[(1S)-1-[1-(2-chloro-4-methylbenzoyl)piperidin-4-yl]-2-(3-methoxyphenyl)ethyl]-methyl-(pyridin-2-ylmethyl)azanium;1-(2,4-dimethylphenyl)-2-[[3-ethynyl-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone;[4-ethyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone;(4R)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one;(4R)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 160357237
5-tert-butyl-5-methylpyrrolidin-2-one;carbon dioxide;2-(4-chlorophenoxy)-N,N,3,3-tetramethylbutan-1-amine;(1S)-1-(2-chlorophenyl)-2,2-dimethylpropan-1-ol;1-(2,4-difluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;2,2-dimethyl-1-(1-methylimidazol-2-yl)propan-1-ol;2,2-dimethyl-1-phenylpropan-1-one;N-[(1S)-2,2-dimethyl-1-phenylpropyl]acetamide;1-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperazine;2-(2,2-dimethylpropyl)thiophene;2,2-dimethyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol;1-(5-ethyl-1H-pyrrol-3-yl)-2,2-dimethylpropan-1-ol;1-(2-fluorophenyl)-N,N,2,2-tetramethylpropan-1-amine;1-[5-(1-hydroxy-2,2-dimethylpropyl)-2,3-dihydroindol-1-yl]ethanone;1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-ol;1-(1H-imidazo[1,2-a]pyrimidin-4-ium-3-yl)-2,2-dimethylpropan-1-ol;(1S)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine;(1R)-N,N,2,2-tetramethyl-1-phenylpropan-1-amine
CID 158922182

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane?
The IUPAC name of 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane (CID 159798047) is 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane.
What is the SMILES notation for 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane?
The canonical SMILES for 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane is C.C.C.C.CC(C)(C)c1ccc(F)cc1Cl.CC(C)(C)c1cccc(Oc2ccccc2)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1csc(-c2cccnc2)n1.CC(C)(C)c1nc2ccccc2s1.Cc1c(C(C)(C)C)csc1Cl.Cc1cc2[nH]cc(C(=O)C(N)=O)c2cc1C(C)(C)C.Cc1cc2c(cc1C(C)(C)C)c(C(=O)C(N)=O)cn2C.Cc1cc2c(ccn2C)cc1C(C)(C)C.Cc1cccc(C)c1C(C)(C)C.Cc1cccc(Cl)c1C(C)(C)C.Cc1ccsc1C(C)(C)C.Cc1nc(C)c(C(C)(C)C)s1.Cc1nc2[nH]cc(C(=O)C(=O)N3CCC(O)C3)c2cc1C(C)(C)C.Cc1nc2c(cc1C(C)(C)C)c(C(=O)C(=O)N1CCC(O)C1)cn2C.
What is the InChIKey of 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane?
The InChIKey is NJKQINOQGLIZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.C18H23N3O3.C16H20N2O2.C16H18O.C15H18N2O2.C14H19N.C13H15N.C12H14N2S.C12H18.C11H15Cl.C11H13NS.C10H12ClF.C9H13ClS.C9H15NS.C9H14S.4CH4/c1-11-15(19(2,3)4)8-13-14(10-21(5)17(13)20-11)16(24)18(25)22-7-6-12(23)9-22;1-10-14(18(2,3)4)7-12-13(8-19-16(12)20-10)15(23)17(24)21-6-5-11(22)9-21;1-9-6-13-10(7-12(9)16(2,3)4)11(8-18(13)5)14(19)15(17)20;1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;1-8-5-12-9(6-11(8)15(2,3)4)10(7-17-12)13(18)14(16)19;1-10-8-13-11(6-7-15(13)5)9-12(10)14(2,3)4;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-12(2,3)10-8-15-11(14-10)9-5-4-6-13-7-9;1-9-7-6-8-10(2)11(9)12(3,4)5;1-8-6-5-7-9(12)10(8)11(2,3)4;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-10(2,3)8-5-4-7(12)6-9(8)11;1-6-7(9(2,3)4)5-11-8(6)10;1-6-8(9(3,4)5)11-7(2)10-6;1-7-5-6-10-8(7)9(2,3)4;;;;/h8,10,12,23H,6-7,9H2,1-5H3;7-8,11,22H,5-6,9H2,1-4H3,(H,19,20);6-8H,1-5H3,(H2,17,20);4-12H,1-3H3;5-7,17H,1-4H3,(H2,16,19);6-9H,1-5H3;4-9H,1-3H3;4-8H,1-3H3;6-8H,1-5H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3;1-5H3;5-6H,1-4H3;4*1H4.
What are the key properties of 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane?
2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane has a molecular weight of 3334.11 g/mol, XLogP of 52.27, 11 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3-benzothiazole;1-tert-butyl-2-chloro-4-fluorobenzene;2-tert-butyl-1-chloro-3-methylbenzene;4-tert-butyl-2-chloro-3-methylthiophene;2-tert-butyl-1,3-dimethylbenzene;5-tert-butyl-1,6-dimethylindole;2-(5-tert-butyl-1,6-dimethylindol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-1,6-dimethylpyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-(5-tert-butyl-6-methyl-1H-indol-3-yl)-2-oxoacetamide;1-(5-tert-butyl-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(3-hydroxypyrrolidin-1-yl)ethane-1,2-dione;2-tert-butyl-3-methylthiophene;1-tert-butyl-3-phenoxybenzene;4-tert-butyl-2-pyridin-3-yl-1,3-thiazole;3-tert-butylquinoline;methane is sourced from PubChem (CID 159798047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).