5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole

C58H112N6O2S2 — CID 158122959

IUPAC5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.Cc1cnsc1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C8H14N2.2C7H11NO.C7H11NS.5C5H12.C4H5NS/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;5*1-5(2,3)4;1-4-2-5-6-3-4/h5-6H,1-4H3;3*4-5H,1-3H3;5*1-4H3;2-3H,1H3
InChIKeyFRUZZQHTBLDURE-UHFFFAOYSA-N
MW989.71 g/mol
LogP19.82
Rot. Bonds

About 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole

5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole (PubChem CID 158122959) has the molecular formula C58H112N6O2S2 and a molecular weight of 989.71 g/mol. Its IUPAC name is 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
PubChem CID158122959
Molecular FormulaC58H112N6O2S2
Molecular Weight989.71 g/mol
Exact Mass988.83
IUPAC Name5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.Cc1cnsc1.Cn1cncc1C(C)(C)C
InChIInChI=1S/C8H14N2.2C7H11NO.C7H11NS.5C5H12.C4H5NS/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;5*1-5(2,3)4;1-4-2-5-6-3-4/h5-6H,1-4H3;3*4-5H,1-3H3;5*1-4H3;2-3H,1H3
InChIKeyFRUZZQHTBLDURE-UHFFFAOYSA-N
XLogP19.82
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.71
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;octakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
CID 157148635
5-Tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;hexakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
CID 157697225
5-Tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane
CID 158101255
5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-2-fluoro-1,3-thiazole;4-tert-butyl-3-fluoro-1,2-thiazole;5-tert-butyl-2-fluoro-1,3-thiazole;5-tert-butyl-3-fluoro-1,2-thiazole
CID 158167613
5-Tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole
CID 158547602
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158707550
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158805513
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158920930
1-Tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;5-tert-butyl-1,3-oxazole;(5-tert-butyl-1,3-thiazol-4-yl)methanol
CID 158979458
ethane;methane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 159617494
4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole
CID 159627703
ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 159756186

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole?
The IUPAC name of 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole (CID 158122959) is 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole.
What is the SMILES notation for 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole?
The canonical SMILES for 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1cnoc1.Cc1cnsc1.Cn1cncc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole?
The InChIKey is FRUZZQHTBLDURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C7H11NO.C7H11NS.5C5H12.C4H5NS/c1-8(2,3)7-5-9-6-10(7)4;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-8-5-9-6;5*1-5(2,3)4;1-4-2-5-6-3-4/h5-6H,1-4H3;3*4-5H,1-3H3;5*1-4H3;2-3H,1H3.
What are the key properties of 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole?
5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole has a molecular weight of 989.71 g/mol, XLogP of 19.82, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methylimidazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);4-methyl-1,2-thiazole is sourced from PubChem (CID 158122959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).