2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane

C170H228Cl2N20O7S3 — CID 159255700

IUPAC2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane
SMILESC.C=C1Nc2c(cccc2C(C)(C)C)OC1C.CC(C)(C)c1[nH]ncc1-c1cnc2ncccn12.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cccc(-c2ccc3n2CCC3)c1.CC(C)(C)c1cccc(Cl)c1-n1cncn1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H24N2.C17H21NS.C17H21N.C16H22N2O.C16H24O2.C14H19NO.C14H20O.C13H15N5.C13H20N2O.C12H14ClN3.C11H12ClNS.C9H12N2OS.CH4/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-17(2,3)14-7-4-6-13(12-14)16-10-9-15-8-5-11-18(15)16;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-9-10(2)16-12-8-6-7-11(13(12)15-9)14(3,4)5;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-13(2,3)11-9(7-16-17-11)10-8-15-12-14-5-4-6-18(10)12;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;1-12(2,3)9-5-4-6-10(13)11(9)16-8-14-7-15-16;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8;/h8-10H,1-7H3;6-11H,1-5H3;4,6-7,9-10,12H,5,8,11H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-8,10,15H,1H2,2-5H3;6-8H,9H2,1-5H3;4-8H,1-3H3,(H,16,17);8H,6-7H2,1-5H3;4-8H,1-3H3;4-6H,1-3H3;4-5,12H,1-3H3;1H4
InChIKeyKVWDVKRYDGHNMQ-UHFFFAOYSA-N
MW2830.93 g/mol
LogP44.68
Rot. Bonds8

About 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane

2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane (PubChem CID 159255700) has the molecular formula C170H228Cl2N20O7S3 and a molecular weight of 2830.93 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane
PubChem CID159255700
Molecular FormulaC170H228Cl2N20O7S3
Molecular Weight2830.93 g/mol
Exact Mass2827.66
IUPAC Name2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane
SMILESC.C=C1Nc2c(cccc2C(C)(C)C)OC1C.CC(C)(C)c1[nH]ncc1-c1cnc2ncccn12.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cccc(-c2ccc3n2CCC3)c1.CC(C)(C)c1cccc(Cl)c1-n1cncn1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H24N2.C17H21NS.C17H21N.C16H22N2O.C16H24O2.C14H19NO.C14H20O.C13H15N5.C13H20N2O.C12H14ClN3.C11H12ClNS.C9H12N2OS.CH4/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-17(2,3)14-7-4-6-13(12-14)16-10-9-15-8-5-11-18(15)16;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-9-10(2)16-12-8-6-7-11(13(12)15-9)14(3,4)5;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-13(2,3)11-9(7-16-17-11)10-8-15-12-14-5-4-6-18(10)12;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;1-12(2,3)9-5-4-6-10(13)11(9)16-8-14-7-15-16;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8;/h8-10H,1-7H3;6-11H,1-5H3;4,6-7,9-10,12H,5,8,11H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-8,10,15H,1H2,2-5H3;6-8H,9H2,1-5H3;4-8H,1-3H3,(H,16,17);8H,6-7H2,1-5H3;4-8H,1-3H3;4-6H,1-3H3;4-5,12H,1-3H3;1H4
InChIKeyKVWDVKRYDGHNMQ-UHFFFAOYSA-N
XLogP44.68
TPSA286.53 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds8
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002830.93
LogP ≤ 544.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane with MolForge

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Related Compounds

2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;6-tert-butyl-1-(oxan-2-yl)indazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 159884632
CID 160110626
CID 160110626
CID 160514460
CID 160514460
2-tert-butyl-6-(2-chloro-5-methoxyphenyl)pyridine;2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-6-[2-chloro-5-(trifluoromethoxy)phenyl]pyridine;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;5-tert-butyl-2,3-dimethyl-3,4-dihydro-2H-1,4-benzoxazine;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;6-tert-butyl-1-(oxan-2-yl)indazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 161920307
1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 157079292
1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;6-tert-butyl-1-(oxan-2-yl)indazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 157157629
1-tert-butyl-3,8a-dihydroindolizine;2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;5-tert-butyl-6-methylimidazo[2,1-b][1,3]thiazole;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-3-methyl-1-(2-methylphenyl)pyrazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)benzimidazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 157323909
2-tert-butyl-4-chloro-1,3-benzothiazole;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;1-(2-tert-butyl-6-methylphenyl)-1,2,4-triazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine;6-tert-butyl-1-(oxan-2-yl)indazole;5-tert-butylpyrrolo[2,1-b][1,3]thiazol-6-ol
CID 157337232
1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;1-tert-butyl-2,3-dihydroindolizine;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-(6-tert-butyl-3H-inden-1-yl)morpholine;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butyl-1-(oxan-2-yl)indazole;1-(4-tert-butyl-2-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;7-tert-butyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 157744691
2-tert-butyl-6-(2-chloro-5-methylsulfanylphenyl)pyridine;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;7-tert-butyl-1-(oxan-2-yl)indazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 157970210
1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;4-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;4-tert-butyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonitrile;4-tert-butyl-6-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;5-tert-butyl-2-methyl-4H-1,4-benzoxazin-3-one;4-tert-butyl-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;6-tert-butyl-1-(oxan-2-yl)indazole;3-(3-tert-butylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-(5-tert-butyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 158140723
CID 158269138
CID 158269138

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane?
The IUPAC name of 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane (CID 159255700) is 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane.
What is the SMILES notation for 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane?
The canonical SMILES for 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane is C.C=C1Nc2c(cccc2C(C)(C)C)OC1C.CC(C)(C)c1[nH]ncc1-c1cnc2ncccn12.CC(C)(C)c1c(O)nc2sccn12.CC(C)(C)c1ccc2cnn(C3CCCCO3)c2c1.CC(C)(C)c1cccc(-c2ccc3n2CCC3)c1.CC(C)(C)c1cccc(Cl)c1-n1cncn1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)=C(C)c1nc2c(C(C)(C)C)cccc2n1C.CC1(C)Cc2cccc(C(C)(C)C)c2O1.CC1Cc2c(C(C)(C)C)nn(C)c2CC1=O.COc1cc(C)cc2c1OCC(C)C2C(C)(C)C.CSc1ccc(C)c(-c2cccc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane?
The InChIKey is KVWDVKRYDGHNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.C17H21NS.C17H21N.C16H22N2O.C16H24O2.C14H19NO.C14H20O.C13H15N5.C13H20N2O.C12H14ClN3.C11H12ClNS.C9H12N2OS.CH4/c1-11(2)12(3)16-18-15-13(17(4,5)6)9-8-10-14(15)19(16)7;1-12-9-10-13(19-5)11-14(12)15-7-6-8-16(18-15)17(2,3)4;1-17(2,3)14-7-4-6-13(12-14)16-10-9-15-8-5-11-18(15)16;1-16(2,3)13-8-7-12-11-17-18(14(12)10-13)15-6-4-5-9-19-15;1-10-7-12-14(16(3,4)5)11(2)9-18-15(12)13(8-10)17-6;1-9-10(2)16-12-8-6-7-11(13(12)15-9)14(3,4)5;1-13(2,3)11-8-6-7-10-9-14(4,5)15-12(10)11;1-13(2,3)11-9(7-16-17-11)10-8-15-12-14-5-4-6-18(10)12;1-8-6-9-10(7-11(8)16)15(5)14-12(9)13(2,3)4;1-12(2,3)9-5-4-6-10(13)11(9)16-8-14-7-15-16;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-9(2,3)6-7(12)10-8-11(6)4-5-13-8;/h8-10H,1-7H3;6-11H,1-5H3;4,6-7,9-10,12H,5,8,11H2,1-3H3;7-8,10-11,15H,4-6,9H2,1-3H3;7-8,11,14H,9H2,1-6H3;6-8,10,15H,1H2,2-5H3;6-8H,9H2,1-5H3;4-8H,1-3H3,(H,16,17);8H,6-7H2,1-5H3;4-8H,1-3H3;4-6H,1-3H3;4-5,12H,1-3H3;1H4.
What are the key properties of 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane?
2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane has a molecular weight of 2830.93 g/mol, XLogP of 44.68, 8 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1,3-benzothiazole;1-(2-tert-butyl-6-chlorophenyl)-1,2,4-triazole;7-tert-butyl-2,2-dimethyl-3H-1-benzofuran;3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-indazol-6-one;5-tert-butylimidazo[2,1-b][1,3]thiazol-6-ol;4-tert-butyl-8-methoxy-3,6-dimethyl-3,4-dihydro-2H-chromene;4-tert-butyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole;5-tert-butyl-2-methyl-3-methylidene-4H-1,4-benzoxazine;2-tert-butyl-6-(2-methyl-5-methylsulfanylphenyl)pyridine;6-tert-butyl-1-(oxan-2-yl)indazole;5-(3-tert-butylphenyl)-2,3-dihydro-1H-pyrrolizine;3-(5-tert-butyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine;methane is sourced from PubChem (CID 159255700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).