N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one

C212H293Cl2F4N25O9S9 — CID 161332838

IUPACN-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc(O)cc(F)c1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1cc2cc(O)ccc2[nH]1.CC(C)(C)c1ccc(Cl)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1cnccn1.CC(C)c1csc(-n2ccccc2=O)n1.CC(C)c1csc(-n2ccnc2)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1cscn1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COc1cc(C(C)(C)C)ccc1Cl.Cc1nc(C(C)C)cs1
InChIInChI=1S/C13H16N2OS.C12H14FN.C12H15NO.C11H15ClO.C11H12N2OS.2C11H14N2.C10H13ClO.3C10H13FO.C10H18N2S.C10H14O.C9H11N3S.C9H16N2S.C9H15NS.C9H13N.C8H12S.C7H12N2.C7H10N2.C7H11NS.C6H9NS/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)11-7-8-6-9(14)4-5-10(8)13-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-8(11)6-9(12)5-7;2*1-10(2,3)7-4-5-8(11)9(12)6-7;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)8-5-11-9(10-8)7(3)4;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-6(2)7-5-8-3-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-3-8-4-7-6/h5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7,13-14H,1-3H3;5-7H,1-4H3;3-8H,1-2H3;2*4-7H,1-3H3,(H,12,13);4*4-6,12H,1-3H3;7-8H,5-6H2,1-4H3;4-7,11H,1-3H3;3-7H,1-2H3;6-7H,5H2,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyVLQMHQFERBZMAH-UHFFFAOYSA-N
MW3771.34 g/mol
LogP61.88
Rot. Bonds18

About N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one

N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 161332838) has the molecular formula C212H293Cl2F4N25O9S9 and a molecular weight of 3771.34 g/mol. Its IUPAC name is N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
PubChem CID161332838
Molecular FormulaC212H293Cl2F4N25O9S9
Molecular Weight3771.34 g/mol
Exact Mass3767.00
IUPAC NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc(O)cc(F)c1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1cc2cc(O)ccc2[nH]1.CC(C)(C)c1ccc(Cl)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1cnccn1.CC(C)c1csc(-n2ccccc2=O)n1.CC(C)c1csc(-n2ccnc2)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1cscn1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COc1cc(C(C)(C)C)ccc1Cl.Cc1nc(C(C)C)cs1
InChIInChI=1S/C13H16N2OS.C12H14FN.C12H15NO.C11H15ClO.C11H12N2OS.2C11H14N2.C10H13ClO.3C10H13FO.C10H18N2S.C10H14O.C9H11N3S.C9H16N2S.C9H15NS.C9H13N.C8H12S.C7H12N2.C7H10N2.C7H11NS.C6H9NS/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)11-7-8-6-9(14)4-5-10(8)13-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-8(11)6-9(12)5-7;2*1-10(2,3)7-4-5-8(11)9(12)6-7;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)8-5-11-9(10-8)7(3)4;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-6(2)7-5-8-3-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-3-8-4-7-6/h5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7,13-14H,1-3H3;5-7H,1-4H3;3-8H,1-2H3;2*4-7H,1-3H3,(H,12,13);4*4-6,12H,1-3H3;7-8H,5-6H2,1-4H3;4-7,11H,1-3H3;3-7H,1-2H3;6-7H,5H2,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyVLQMHQFERBZMAH-UHFFFAOYSA-N
XLogP61.88
TPSA465.42 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003771.34
LogP ≤ 561.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 157554113
3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane
CID 157698357
2-chloro-5-methylpyridine;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 158571236
3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane
CID 158846241
3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-2,3-dihydro-1H-indazole;5-tert-butyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-4-fluoro-2,3-dihydro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;bis(4-tert-butyl-1H-pyrrolo[2,3-b]pyridine);5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane
CID 158946812
3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;6-tert-butyl-1H-indazole;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane
CID 160073180
3-tert-butylbenzamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;tert-butylcyclopropane;6-tert-butyl-4-fluoro-1H-indazole;3-tert-butyl-5-fluorophenol;4-tert-butyl-6-fluoropyridin-2-amine;4-tert-butyl-6-fluoropyrimidin-2-amine;6-tert-butyl-1H-indazole;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;4-tert-butylpyridin-2-amine;3-tert-butylpyridine;4-tert-butylpyrimidin-2-amine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1,3-thiazol-2-amine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;3,3-dimethylbut-1-ynylcyclopropane;(2R)-5,5-dimethylhex-3-yn-2-ol;4,4-dimethylpent-2-yn-1-ol;2,2,3,3-tetramethylbutane;2,2,5,5-tetramethylhex-3-yne;2,2,5-trimethylhex-3-yne;2,5,5-trimethylhex-3-yn-2-ol
CID 160244491
2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;3-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole
CID 160264634
2-chloro-5-methylpyridine;1,2-dimethylimidazole;2,4-dimethyl-1,3-thiazole;5-fluoro-3-methyl-1H-indole;2-methoxy-5-methylpyridine;3-methyl-1-azabicyclo[2.2.2]octane;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;2-methyl-1H-indene;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;2-methylmorpholine;2-methyloxane;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methylpiperazine;1-methylpiperidine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;2-methylpyrazine;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;4-methyl-1,3-thiazole
CID 160332001
N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,2-dimethylhexan-3-one;3,3-dimethyl-1-phenylbutan-2-one;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
CID 160504649
N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-methylpropane;1H-pyrrolo[3,2-b]pyridine
CID 161011743
N-(5-tert-butyl-1,3-benzothiazol-2-yl)acetamide;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-2-chlorophenol;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;4-tert-butyl-2-fluorophenol;5-tert-butyl-2-fluorophenol;2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
CID 161368173

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one (CID 161332838) is N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one.
What is the SMILES notation for N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The canonical SMILES for N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one is CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.CC(C)(C)c1cc(O)cc(F)c1.CC(C)(C)c1cc2cc(F)ccc2[nH]1.CC(C)(C)c1cc2cc(O)ccc2[nH]1.CC(C)(C)c1ccc(Cl)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1ccc(F)c(O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1cnccn1.CC(C)c1csc(-n2ccccc2=O)n1.CC(C)c1csc(-n2ccnc2)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1cscn1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COc1cc(C(C)(C)C)ccc1Cl.Cc1nc(C(C)C)cs1.
What is the InChIKey of N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The InChIKey is VLQMHQFERBZMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.C12H14FN.C12H15NO.C11H15ClO.C11H12N2OS.2C11H14N2.C10H13ClO.3C10H13FO.C10H18N2S.C10H14O.C9H11N3S.C9H16N2S.C9H15NS.C9H13N.C8H12S.C7H12N2.C7H10N2.C7H11NS.C6H9NS/c1-8(16)14-12-15-10-6-5-9(13(2,3)4)7-11(10)17-12;1-12(2,3)11-7-8-6-9(13)4-5-10(8)14-11;1-12(2,3)11-7-8-6-9(14)4-5-10(8)13-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4;1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;2*1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-10(2,3)7-4-5-8(11)9(12)6-7;1-10(2,3)7-4-8(11)6-9(12)5-7;2*1-10(2,3)7-4-5-8(11)9(12)6-7;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-10(2,3)8-5-4-6-9(11)7-8;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)8-5-11-9(10-8)7(3)4;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-6(2)7-5-8-3-4-9-7;1-5(2)7-4-9-6(3)8-7;1-5(2)6-3-8-4-7-6/h5-7H,1-4H3,(H,14,15,16);4-7,14H,1-3H3;4-7,13-14H,1-3H3;5-7H,1-4H3;3-8H,1-2H3;2*4-7H,1-3H3,(H,12,13);4*4-6,12H,1-3H3;7-8H,5-6H2,1-4H3;4-7,11H,1-3H3;3-7H,1-2H3;6-7H,5H2,1-4H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one has a molecular weight of 3771.34 g/mol, XLogP of 61.88, 18 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-chlorophenol;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;bis(5-tert-butyl-2-fluorophenol);2-tert-butyl-1H-indol-5-ol;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(5-tert-butyl-1H-pyrrolo[2,3-b]pyridine);2-tert-butylthiophene;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-4-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrazine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 161332838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).