1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane

C94H184N16OS — CID 158372933

IUPAC1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
SMILESC.C.C.C.C.C.C.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H21N.3C11H20N2.C11H19NS.2C10H19N3.C10H18N2O.7CH4/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;;;;;;;/h7-9H,1-6H3;3*7-8H,1-6H3;3*7H,1-6H3;1-6H3;7*1H4
InChIKeyGUVMZSJTHBHIHQ-UHFFFAOYSA-N
MW1586.68 g/mol
LogP28.00
Rot. Bonds

About 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane

1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane (PubChem CID 158372933) has the molecular formula C94H184N16OS and a molecular weight of 1586.68 g/mol. Its IUPAC name is 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane.

Molecular Properties

Compound Name1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
PubChem CID158372933
Molecular FormulaC94H184N16OS
Molecular Weight1586.68 g/mol
Exact Mass1585.46
IUPAC Name1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
SMILESC.C.C.C.C.C.C.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H21N.3C11H20N2.C11H19NS.2C10H19N3.C10H18N2O.7CH4/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;;;;;;;/h7-9H,1-6H3;3*7-8H,1-6H3;3*7H,1-6H3;1-6H3;7*1H4
InChIKeyGUVMZSJTHBHIHQ-UHFFFAOYSA-N
XLogP28.00
TPSA179.58 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001586.68
LogP ≤ 528.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane with MolForge

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Related Compounds

2,5-Ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyl-1,3-thiazole;methane
CID 157517247
2-tert-butyl-5-cyclopropylthiophene;5-tert-butyl-2,4-dimethyl-1,3-thiazole;2-tert-butyl-4-methyl-1,3-thiazole;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole
CID 157562886
1-Methylimidazole;1-methylpentazole;1-methylpyrazole;3-methylpyridine;1-methyltetrazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 157769394
1-Propan-2-ylimidazole;2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158103590
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;bis(1,3-dimethylpyrrole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);1,5-dimethyltriazole;ethane;pyridine;pyrimidine
CID 158435799
2,5-bis(2,2-dimethylpropyl)-1-methylpyrrole;2,5-bis(2,2-dimethylpropyl)-1,3,4-oxadiazole;2,5-bis(2,2-dimethylpropyl)pyrazine;3,6-bis(2,2-dimethylpropyl)pyridazine;2,5-bis(2,2-dimethylpropyl)pyrimidine;bis(2,4-bis(2,2-dimethylpropyl)-1H-pyrrole);bis(2,4-bis(2,2-dimethylpropyl)-1,3-thiazole);3-(2,2-dimethylpropyl)-6-(2,3,3-trimethylbutan-2-yl)pyridazine;5-(2,2-dimethylpropyl)-2-(2,3,3-trimethylbutan-2-yl)pyridine;2-(2,2-dimethylpropyl)-5-(2,3,3-trimethylbutan-2-yl)pyrimidine
CID 159057938
2-tert-butyl-5-cyclopropylthiophene;3-tert-butylpyridine;5-cyclopropyl-3-propan-2-yl-1,2,4-oxadiazole;3,5-dimethyl-1-propan-2-ylpyrazole;2,4-dimethyl-1-propan-2-ylpyrrole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-propan-2-ylimidazole;5-propan-2-yl-2H-pyrrole
CID 159445385
tert-butylbenzene;5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-6-methylidenecyclohexa-1,3-diene;3-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;3,3-dimethylbut-1-ene;2,2,3-trimethylbutane
CID 159600762
benzene;1-tert-butylimidazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;methane;2-methylpropane
CID 159698517
Bis(1-propan-2-ylimidazole);2-propan-2-yl-1,3,4-oxadiazole;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
CID 159861655
1-Tert-butylimidazole;3-tert-butyl-1,2,4-oxadiazole;1-tert-butylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole
CID 160385639
4-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-6-methylidenecyclohexa-1,3-diene;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyridine;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;3,3-dimethylbut-1-ene;2,2,3-trimethylbutane
CID 160721137

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane?
The IUPAC name of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane (CID 158372933) is 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane.
What is the SMILES notation for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane?
The canonical SMILES for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane is C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.
What is the InChIKey of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane?
The InChIKey is GUVMZSJTHBHIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.3C11H20N2.C11H19NS.2C10H19N3.C10H18N2O.7CH4/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;;;;;;;/h7-9H,1-6H3;3*7-8H,1-6H3;3*7H,1-6H3;1-6H3;7*1H4.
What are the key properties of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane?
1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane has a molecular weight of 1586.68 g/mol, XLogP of 28.00, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butylpyridine;2,5-ditert-butyl-1,3-thiazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane is sourced from PubChem (CID 158372933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).