1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one

C260H406ClN39O12S9 — CID 160752022

IUPAC1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(=O)N(C)C(C)C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)N(C)CCN1CCOCC1.CC(C)N(C)S(C)(=O)=O.CC(C)N1CCN(CCS(C)(=O)=O)CC1.CC(C)NCCN1CCOCC1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccn1.CC(C)c1csc(-n2ccccc2=O)n1.CC(C)c1csc(-n2ccnc2)n1.CC(C)c1csc(C(C)(C)C)n1.CC(C)c1cscn1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)C)c1.Cc1ccncc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1nc(C(C)C)cs1
InChIInChI=1S/C11H12N2OS.C11H16O.C10H22N2O2S.C10H22N2O.C10H18N2S.2C10H12N2.C10H13NO2.C10H17NS.3C10H15N.C9H11N3S.C9H20N2O.C9H16N2S.C9H13NO.6C9H13N.C8H10ClN.C8H12N2.C8H11N.C7H11NS.C6H13NO.C6H9NS.C5H13NO2S/c1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2)12-6-4-11(5-7-12)8-9-15(3,13)14;1-10(2)11(3)4-5-12-6-8-13-9-7-12;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-7(2)8-6-12-9(11-8)10(3,4)5;1-8-7-11-6-5-9(8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-9(2)10-3-4-11-5-7-12-8-6-11;1-5-11(4)9-10-8(6-12-9)7(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-4-9-6(3)8-7;1-5(2)7(4)6(3)8;1-5(2)6-3-8-4-7-6;1-5(2)6(3)9(4,7)8/h3-8H,1-2H3;5-8H,1-4H3;10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;7-8H,5-6H2,1-4H3;2*3-7H,1-2H3,(H,11,12);4-7H,1-3H3;6-7H,1-5H3;3*5-7H,1-4H3;3-7H,1-2H3;9-10H,3-8H2,1-2H3;6-7H,5H2,1-4H3;4-7H,1-3H3;6*4-7H,1-3H3;3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3;4-5H,1-3H3;5H,1-4H3;3-5H,1-2H3;5H,1-4H3
InChIKeyRWYKMOFEKQFIFR-UHFFFAOYSA-N
MW4594.42 g/mol
LogP63.46
Rot. Bonds42

About 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one

1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 160752022) has the molecular formula C260H406ClN39O12S9 and a molecular weight of 4594.42 g/mol. Its IUPAC name is 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
PubChem CID160752022
Molecular FormulaC260H406ClN39O12S9
Molecular Weight4594.42 g/mol
Exact Mass4589.95
IUPAC Name1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(=O)N(C)C(C)C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)N(C)CCN1CCOCC1.CC(C)N(C)S(C)(=O)=O.CC(C)N1CCN(CCS(C)(=O)=O)CC1.CC(C)NCCN1CCOCC1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccn1.CC(C)c1csc(-n2ccccc2=O)n1.CC(C)c1csc(-n2ccnc2)n1.CC(C)c1csc(C(C)(C)C)n1.CC(C)c1cscn1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)C)c1.Cc1ccncc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1nc(C(C)C)cs1
InChIInChI=1S/C11H12N2OS.C11H16O.C10H22N2O2S.C10H22N2O.C10H18N2S.2C10H12N2.C10H13NO2.C10H17NS.3C10H15N.C9H11N3S.C9H20N2O.C9H16N2S.C9H13NO.6C9H13N.C8H10ClN.C8H12N2.C8H11N.C7H11NS.C6H13NO.C6H9NS.C5H13NO2S/c1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2)12-6-4-11(5-7-12)8-9-15(3,13)14;1-10(2)11(3)4-5-12-6-8-13-9-7-12;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-7(2)8-6-12-9(11-8)10(3,4)5;1-8-7-11-6-5-9(8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-9(2)10-3-4-11-5-7-12-8-6-11;1-5-11(4)9-10-8(6-12-9)7(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-4-9-6(3)8-7;1-5(2)7(4)6(3)8;1-5(2)6-3-8-4-7-6;1-5(2)6(3)9(4,7)8/h3-8H,1-2H3;5-8H,1-4H3;10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;7-8H,5-6H2,1-4H3;2*3-7H,1-2H3,(H,11,12);4-7H,1-3H3;6-7H,1-5H3;3*5-7H,1-4H3;3-7H,1-2H3;9-10H,3-8H2,1-2H3;6-7H,5H2,1-4H3;4-7H,1-3H3;6*4-7H,1-3H3;3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3;4-5H,1-3H3;5H,1-4H3;3-5H,1-2H3;5H,1-4H3
InChIKeyRWYKMOFEKQFIFR-UHFFFAOYSA-N
XLogP63.46
TPSA583.65 Ų
H-Bond Donors4
H-Bond Acceptors54
Rotatable Bonds42
Heavy Atoms321
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004594.42
LogP ≤ 563.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1054

Analyze 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;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

5-amino-N-[[4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-[(4-pyridin-4-ylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]-3-methylimidazole-4-sulfonamide;N-[1-(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)pyrrolidin-3-yl]morpholine-4-carboxamide;5-amino-3,4-dimethyl-N-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[[4-(2-methoxy-3-pyridinyl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 157483963
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 159076998
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylisoquinoline;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 159248111
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;4-tert-butyl-3-fluoro-5-methyl-2H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 160604998
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloro-2-methylidenepyridine;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-3,5-dimethyl-2H-indazole;4-tert-butyl-5,6-dimethyl-1H-indazole;4-tert-butyl-5-fluoro-1H-indazole;5-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 161002155

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The IUPAC name of 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one (CID 160752022) is 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;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 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The canonical SMILES for 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one is CC(=O)N(C)C(C)C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)N(C)CCN1CCOCC1.CC(C)N(C)S(C)(=O)=O.CC(C)N1CCN(CCS(C)(=O)=O)CC1.CC(C)NCCN1CCOCC1.CC(C)c1ccc(N)cn1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cccc(Cl)n1.CC(C)c1ccccn1.CC(C)c1csc(-n2ccccc2=O)n1.CC(C)c1csc(-n2ccnc2)n1.CC(C)c1csc(C(C)(C)C)n1.CC(C)c1cscn1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COC(=O)c1cccc(C(C)C)n1.COc1cccc(C(C)C)n1.COc1ccccc1C(C)(C)C.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)C)c1.Cc1ccncc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1nc(C(C)C)cs1.
What is the InChIKey of 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The InChIKey is RWYKMOFEKQFIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS.C11H16O.C10H22N2O2S.C10H22N2O.C10H18N2S.2C10H12N2.C10H13NO2.C10H17NS.3C10H15N.C9H11N3S.C9H20N2O.C9H16N2S.C9H13NO.6C9H13N.C8H10ClN.C8H12N2.C8H11N.C7H11NS.C6H13NO.C6H9NS.C5H13NO2S/c1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;1-11(2,3)9-7-5-6-8-10(9)12-4;1-10(2)12-6-4-11(5-7-12)8-9-15(3,13)14;1-10(2)11(3)4-5-12-6-8-13-9-7-12;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-5-4-6-9(11-8)10(12)13-3;1-7(2)8-6-12-9(11-8)10(3,4)5;1-8-7-11-6-5-9(8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-9(2)10-3-4-11-5-7-12-8-6-11;1-5-11(4)9-10-8(6-12-9)7(2)3;1-7(2)8-5-4-6-9(10-8)11-3;1-9(2,3)8-4-6-10-7-5-8;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-5-4-8(3)6-10-9;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-3-5-8(9)10-7;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;1-5(2)7-4-9-6(3)8-7;1-5(2)7(4)6(3)8;1-5(2)6-3-8-4-7-6;1-5(2)6(3)9(4,7)8/h3-8H,1-2H3;5-8H,1-4H3;10H,4-9H2,1-3H3;10H,4-9H2,1-3H3;7-8H,5-6H2,1-4H3;2*3-7H,1-2H3,(H,11,12);4-7H,1-3H3;6-7H,1-5H3;3*5-7H,1-4H3;3-7H,1-2H3;9-10H,3-8H2,1-2H3;6-7H,5H2,1-4H3;4-7H,1-3H3;6*4-7H,1-3H3;3-6H,1-2H3;3-6H,9H2,1-2H3;3-7H,1-2H3;4-5H,1-3H3;5H,1-4H3;3-5H,1-2H3;5H,1-4H3.
What are the key properties of 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;4-propan-2-yl-1,3-thiazole;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;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 4594.42 g/mol, XLogP of 63.46, 42 rotatable bonds, 4 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-3-methylpyridine;2-tert-butyl-4-propan-2-yl-1,3-thiazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-chloro-6-propan-2-ylpyridine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;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-methoxy-6-propan-2-ylpyridine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylmethanesulfonamide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;methyl 6-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-1,3-thiazole;1-(2-methylsulfonylethyl)-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyridine;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 160752022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).