2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

C239H374FN43O8S5 — CID 159116040

IUPAC2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1cccs1.CC(C)(C)c1nccs1.CC(C)C1=NCC=N1.CC(C)c1cc(F)ccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1ncn(C)n1.CCc1csc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cc1cnc(C(C)C)nc1.Cc1conc1C(C)(C)C.Cc1csc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)no1.Cc1nc(C(C)(C)C)no1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C9H15NS.2C9H13N.C8H10FN.2C8H14N2.C8H12N2.6C8H13NO.2C8H13NS.3C8H13N.2C8H11N.C8H12S.2C7H12N2O.5C7H10N2.C7H11NS.C6H11N3.C6H10N2/c1-5-7-6-11-8(10-7)9(2,3)4;2*1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-5-7(9)3-4-10-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-6-10(4)9-7;1-6(2)8-9-4-7(3)5-10-8;1-6-5-10-9-7(6)8(2,3)4;4*1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-9-7;2*1-5-8-6(9-10-5)7(2,3)4;1-6(2)7-3-8-5-9-4-7;2*1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2,3)6-8-4-5-9-6;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-3-4-8-6/h6H,5H2,1-4H3;2*4-7H,1-3H3;3-6H,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;8*5H,1-4H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;2*1-4H3;5*3-6H,1-2H3;2*4-5H,1-3H3;3,5H,4H2,1-2H3
InChIKeyKFCDHNULTSPZAZ-UHFFFAOYSA-N
MW4157.25 g/mol
LogP64.69
Rot. Bonds14

About 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (PubChem CID 159116040) has the molecular formula C239H374FN43O8S5 and a molecular weight of 4157.25 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
PubChem CID159116040
Molecular FormulaC239H374FN43O8S5
Molecular Weight4157.25 g/mol
Exact Mass4153.88
IUPAC Name2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESCC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1cccs1.CC(C)(C)c1nccs1.CC(C)C1=NCC=N1.CC(C)c1cc(F)ccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1ncn(C)n1.CCc1csc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cc1cnc(C(C)C)nc1.Cc1conc1C(C)(C)C.Cc1csc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)no1.Cc1nc(C(C)(C)C)no1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/C9H15NS.2C9H13N.C8H10FN.2C8H14N2.C8H12N2.6C8H13NO.2C8H13NS.3C8H13N.2C8H11N.C8H12S.2C7H12N2O.5C7H10N2.C7H11NS.C6H11N3.C6H10N2/c1-5-7-6-11-8(10-7)9(2,3)4;2*1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-5-7(9)3-4-10-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-6-10(4)9-7;1-6(2)8-9-4-7(3)5-10-8;1-6-5-10-9-7(6)8(2,3)4;4*1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-9-7;2*1-5-8-6(9-10-5)7(2,3)4;1-6(2)7-3-8-5-9-4-7;2*1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2,3)6-8-4-5-9-6;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-3-4-8-6/h6H,5H2,1-4H3;2*4-7H,1-3H3;3-6H,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;8*5H,1-4H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;2*1-4H3;5*3-6H,1-2H3;2*4-5H,1-3H3;3,5H,4H2,1-2H3
InChIKeyKFCDHNULTSPZAZ-UHFFFAOYSA-N
XLogP64.69
TPSA632.86 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds14
Heavy Atoms296
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004157.25
LogP ≤ 564.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 118537142
N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 118537225
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
3-Cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-3-propan-2-ylpyrrole;1,3-dimethyl-4-propan-2-ylpyrrole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;4-methyl-1-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3-thiazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-3-propyl-1,2,4-oxadiazole;bis(1-propan-2-ylpyrazole);2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(5-propan-2-ylthiophen-2-yl)methanol;4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 158967732
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-5-yl-2-pyridinyl)acetamide;2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide;N-(5-pyrimidin-5-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]acetamide
CID 159316014
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556
2-Tert-butyl-5-isocyanopyridine;5-(3,3-dimethylbutyl)-4-methyl-1,3-thiazole;2-(3,3-dimethylbutyl)thiophene;1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole;3-(2,2-dimethylpropyl)-1,2-oxazole;3-(2,2-dimethylpropyl)-5-phenyl-1,2,4-oxadiazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
CID 157258049
2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylimidazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-ylpyrazine);1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;2-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157292200
5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;4-tert-butyl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157303965
3-propan-2-yl-1,2,5-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
CID 157309618
1-Tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;1-tert-butylpyrazole;bis(2-tert-butyl-1,3-thiazole);2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;2-tert-butyltriazole;nonakis(2,2-dimethylpropane);furan;methane;2-methylfuran;1-methylimidazole;1-methylpyrrole;pyrazine;tris(pyridine);thiophene
CID 157391084
1-benzyl-5-tert-butylpyridin-2-one;4-tert-butyl-3,5-dimethyl-1,2-oxazole;5-tert-butyl-2,4-dimethyl-1,3-thiazole;3,6-dihydro-2H-pyran;pentakis(2,2-dimethylpropane);ethane;2-(2-methylimidazol-1-yl)-1,3-thiazole;1-methylpyrazole;1-phenylpyrazole;4-(2-pyrazol-1-ylethyl)morpholine
CID 157398549

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The IUPAC name of 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (CID 159116040) is 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)c1cccs1.CC(C)(C)c1nccs1.CC(C)C1=NCC=N1.CC(C)c1cc(F)ccn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cnccn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1ncn(C)n1.CCc1csc(C(C)(C)C)n1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1cnc(C(C)(C)C)s1.Cc1cnc(C(C)C)nc1.Cc1conc1C(C)(C)C.Cc1csc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)no1.Cc1nc(C(C)(C)C)no1.Cn1ccc(C(C)(C)C)n1.Cn1cnc(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The InChIKey is KFCDHNULTSPZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.2C9H13N.C8H10FN.2C8H14N2.C8H12N2.6C8H13NO.2C8H13NS.3C8H13N.2C8H11N.C8H12S.2C7H12N2O.5C7H10N2.C7H11NS.C6H11N3.C6H10N2/c1-5-7-6-11-8(10-7)9(2,3)4;2*1-7(2)9-5-4-8(3)6-10-9;1-6(2)8-5-7(9)3-4-10-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-6-10(4)9-7;1-6(2)8-9-4-7(3)5-10-8;1-6-5-10-9-7(6)8(2,3)4;4*1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-8(2,3)7-5-4-6-9-7;2*1-5-8-6(9-10-5)7(2,3)4;1-6(2)7-3-8-5-9-4-7;2*1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-7(2,3)6-8-4-5-9-6;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-3-4-8-6/h6H,5H2,1-4H3;2*4-7H,1-3H3;3-6H,1-2H3;2*5-6H,1-4H3;4-6H,1-3H3;8*5H,1-4H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;4-5H,6H2,1-3H3;2*3-7H,1-2H3;4-6H,1-3H3;2*1-4H3;5*3-6H,1-2H3;2*4-5H,1-3H3;3,5H,4H2,1-2H3.
What are the key properties of 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine has a molecular weight of 4157.25 g/mol, XLogP of 64.69, 14 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-1,3-thiazole;4-tert-butyl-1-methylimidazole;bis(3-tert-butyl-5-methyl-1,2,4-oxadiazole);3-tert-butyl-4-methyl-1,2-oxazole;tetrakis(3-tert-butyl-5-methyl-1,2-oxazole);5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butyl-5-methyl-1,3-thiazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;2-tert-butylthiophene;4-fluoro-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);5-methyl-2-propan-2-ylpyrimidine;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-4H-imidazole;bis(2-propan-2-ylpyrazine);3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 159116040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).