5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole

C159H250Cl3F3N20O2S4 — CID 159772683

IUPAC5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCC(C)(C)Cc1ccc(Cl)s1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ncc(Cl)s1.CC(C)(C)Cc1ncccn1.CC(C)c1[nH]cnc1C(F)(F)F.CC(C)c1cnc(Cl)[nH]1.COc1ccc(CC(C)(C)C)[nH]1.COc1cnc(C(C)C)s1.Cc1[nH]cnc1CC(C)(C)C.Cc1cc(CCC(C)(C)C)ccn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(CCC(C)(C)C)nc1.Cc1ccc(CCC(C)(C)C)s1.Cc1cncc(CCC(C)(C)C)c1.Cc1ncc(CC(C)(C)C)[nH]1
InChIInChI=1S/3C12H19N.C11H18S.C10H17NO.3C10H15N.C9H13ClS.2C9H16N2.C9H14N2.C8H12ClNS.C8H13N.C7H9F3N2.C7H11NOS.C6H9ClN2/c1-10-9-11(6-8-13-10)5-7-12(2,3)4;1-10-7-11(9-13-8-10)5-6-12(2,3)4;1-10-5-6-11(13-9-10)7-8-12(2,3)4;1-9-5-6-10(12-9)7-8-11(2,3)4;1-10(2,3)7-8-5-6-9(11-8)12-4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)6-7-4-5-8(10)11-7;1-7-8(11-6-10-7)5-9(2,3)4;1-7-10-6-8(11-7)5-9(2,3)4;1-9(2,3)7-8-10-5-4-6-11-8;1-8(2,3)4-7-10-5-6(9)11-7;1-6(2)8-5-4-7(3)9-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-5(2)7-8-4-6(9-3)10-7;1-4(2)5-3-8-6(7)9-5/h6,8-9H,5,7H2,1-4H3;7-9H,5-6H2,1-4H3;5-6,9H,7-8H2,1-4H3;5-6H,7-8H2,1-4H3;5-6,11H,7H2,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;2*6H,5H2,1-4H3,(H,10,11);4-6H,7H2,1-3H3;5H,4H2,1-3H3;4-6,9H,1-3H3;3-4H,1-2H3,(H,11,12);4-5H,1-3H3;3-4H,1-2H3,(H,8,9)
InChIKeyNGIAJLLQBGRNAH-UHFFFAOYSA-N
MW2765.51 g/mol
LogP48.28
Rot. Bonds23

About 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole

5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole (PubChem CID 159772683) has the molecular formula C159H250Cl3F3N20O2S4 and a molecular weight of 2765.51 g/mol. Its IUPAC name is 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
PubChem CID159772683
Molecular FormulaC159H250Cl3F3N20O2S4
Molecular Weight2765.51 g/mol
Exact Mass2761.80
IUPAC Name5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole
SMILESCC(C)(C)Cc1ccc(Cl)s1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ncc(Cl)s1.CC(C)(C)Cc1ncccn1.CC(C)c1[nH]cnc1C(F)(F)F.CC(C)c1cnc(Cl)[nH]1.COc1ccc(CC(C)(C)C)[nH]1.COc1cnc(C(C)C)s1.Cc1[nH]cnc1CC(C)(C)C.Cc1cc(CCC(C)(C)C)ccn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(CCC(C)(C)C)nc1.Cc1ccc(CCC(C)(C)C)s1.Cc1cncc(CCC(C)(C)C)c1.Cc1ncc(CC(C)(C)C)[nH]1
InChIInChI=1S/3C12H19N.C11H18S.C10H17NO.3C10H15N.C9H13ClS.2C9H16N2.C9H14N2.C8H12ClNS.C8H13N.C7H9F3N2.C7H11NOS.C6H9ClN2/c1-10-9-11(6-8-13-10)5-7-12(2,3)4;1-10-7-11(9-13-8-10)5-6-12(2,3)4;1-10-5-6-11(13-9-10)7-8-12(2,3)4;1-9-5-6-10(12-9)7-8-11(2,3)4;1-10(2,3)7-8-5-6-9(11-8)12-4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)6-7-4-5-8(10)11-7;1-7-8(11-6-10-7)5-9(2,3)4;1-7-10-6-8(11-7)5-9(2,3)4;1-9(2,3)7-8-10-5-4-6-11-8;1-8(2,3)4-7-10-5-6(9)11-7;1-6(2)8-5-4-7(3)9-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-5(2)7-8-4-6(9-3)10-7;1-4(2)5-3-8-6(7)9-5/h6,8-9H,5,7H2,1-4H3;7-9H,5-6H2,1-4H3;5-6,9H,7-8H2,1-4H3;5-6H,7-8H2,1-4H3;5-6,11H,7H2,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;2*6H,5H2,1-4H3,(H,10,11);4-6H,7H2,1-3H3;5H,4H2,1-3H3;4-6,9H,1-3H3;3-4H,1-2H3,(H,11,12);4-5H,1-3H3;3-4H,1-2H3,(H,8,9)
InChIKeyNGIAJLLQBGRNAH-UHFFFAOYSA-N
XLogP48.28
TPSA293.66 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002765.51
LogP ≤ 548.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole with MolForge

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Related Compounds

3-chloro-5-methylpyridine;2-(1,1-difluoroethyl)pyridine;4-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrazin-2-amine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;N-ethyl-N-methyl-1,3-thiazol-2-amine;3-fluoro-2-methylpyridine;2-fluoropyridine;3-fluoropyridine;4-fluoropyridine;methane;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-piperidin-1-ylpyridine;pyrazine;pyridazine;pyridine;2-pyridin-4-ylethylcyanamide;4-pyridin-3-ylmorpholine;pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;5-(trifluoromethyl)-1H-pyrazole;3-(trifluoromethyl)pyridine
CID 157597972
2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;methane;2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole
CID 157534917
2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;bis(2-propan-2-ylpyrimidine);4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole
CID 158217583
Tert-butylbenzene;2-tert-butyl-5-chlorothiophene;tert-butylcyclopentane;tert-butylcyclopropane;2-tert-butyl-5-(difluoromethoxy)pyridine;4-tert-butyl-1-methylpyrazole;bis(2-tert-butyl-5-methylpyridine);2-tert-butyl-6-methylpyridine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-yloxypyridine;2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-5-(trideuteriomethoxy)pyridine
CID 158292800
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(4-ethylimidazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methylpyrrol-1-yl)methyl]pyridine;5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-1,3-thiazole;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-[(1-methylpyrrol-3-yl)methyl]pyridine;3-(3-chlorophenyl)-2-methoxy-5-(pyrrol-1-ylmethyl)pyridine;3-(3-chlorophenyl)-2-methoxy-5-(1H-pyrrol-3-ylmethyl)pyridine
CID 158953377
2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole
CID 161231779
2-tert-butyl-3-methylpyridine;2-chloro-6-propan-2-ylpyridine;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,4-di(propan-2-yl)-1,3-thiazol-2-amine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylimidazole;bis(2-methyl-5-propan-2-ylpyrazine);1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole
CID 161275734
[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol;(4-chlorophenyl)-[5-(3-chloro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[5-(2-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[5-(3-fluoro-4-pyridinyl)-2-(1H-imidazol-2-yl)thiophen-3-yl]methanol;(4-chlorophenyl)-[2-(1H-imidazol-2-yl)-5-(2-methoxy-4-pyridinyl)thiophen-3-yl]methanol
CID 161914179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole (CID 159772683) is 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole is CC(C)(C)Cc1ccc(Cl)s1.CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ncc(Cl)s1.CC(C)(C)Cc1ncccn1.CC(C)c1[nH]cnc1C(F)(F)F.CC(C)c1cnc(Cl)[nH]1.COc1ccc(CC(C)(C)C)[nH]1.COc1cnc(C(C)C)s1.Cc1[nH]cnc1CC(C)(C)C.Cc1cc(CCC(C)(C)C)ccn1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(CCC(C)(C)C)nc1.Cc1ccc(CCC(C)(C)C)s1.Cc1cncc(CCC(C)(C)C)c1.Cc1ncc(CC(C)(C)C)[nH]1.
What is the InChIKey of 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
The InChIKey is NGIAJLLQBGRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H19N.C11H18S.C10H17NO.3C10H15N.C9H13ClS.2C9H16N2.C9H14N2.C8H12ClNS.C8H13N.C7H9F3N2.C7H11NOS.C6H9ClN2/c1-10-9-11(6-8-13-10)5-7-12(2,3)4;1-10-7-11(9-13-8-10)5-6-12(2,3)4;1-10-5-6-11(13-9-10)7-8-12(2,3)4;1-9-5-6-10(12-9)7-8-11(2,3)4;1-10(2,3)7-8-5-6-9(11-8)12-4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-9(2,3)6-7-4-5-8(10)11-7;1-7-8(11-6-10-7)5-9(2,3)4;1-7-10-6-8(11-7)5-9(2,3)4;1-9(2,3)7-8-10-5-4-6-11-8;1-8(2,3)4-7-10-5-6(9)11-7;1-6(2)8-5-4-7(3)9-8;1-4(2)5-6(7(8,9)10)12-3-11-5;1-5(2)7-8-4-6(9-3)10-7;1-4(2)5-3-8-6(7)9-5/h6,8-9H,5,7H2,1-4H3;7-9H,5-6H2,1-4H3;5-6,9H,7-8H2,1-4H3;5-6H,7-8H2,1-4H3;5-6,11H,7H2,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,6H2,1-3H3;2*6H,5H2,1-4H3,(H,10,11);4-6H,7H2,1-3H3;5H,4H2,1-3H3;4-6,9H,1-3H3;3-4H,1-2H3,(H,11,12);4-5H,1-3H3;3-4H,1-2H3,(H,8,9).
What are the key properties of 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole?
5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole has a molecular weight of 2765.51 g/mol, XLogP of 48.28, 23 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,2-dimethylpropyl)-1,3-thiazole;2-chloro-5-(2,2-dimethylpropyl)thiophene;2-chloro-5-propan-2-yl-1H-imidazole;2-(3,3-dimethylbutyl)-5-methylpyridine;3-(3,3-dimethylbutyl)-5-methylpyridine;4-(3,3-dimethylbutyl)-2-methylpyridine;2-(3,3-dimethylbutyl)-5-methylthiophene;2-(2,2-dimethylpropyl)-5-methoxy-1H-pyrrole;4-(2,2-dimethylpropyl)-5-methyl-1H-imidazole;5-(2,2-dimethylpropyl)-2-methyl-1H-imidazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;2-(2,2-dimethylpropyl)pyrimidine;5-methoxy-2-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1H-pyrrole;5-propan-2-yl-4-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 159772683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).