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

C100H191N11O4S2 — CID 157148635

IUPAC5-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
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.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.Cn1cc(C(C)(C)C)ccc1=O.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cnc1=O.Cn1cncc1C(C)(C)C
InChIInChI=1S/C10H15NO.C9H14N2O.2C8H14N2.2C7H11NO.C7H11NS.8C5H12.C4H5NS/c1-10(2,3)8-5-6-9(12)11(4)7-8;1-9(2,3)7-5-10-8(12)11(4)6-7;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;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;8*1-5(2,3)4;1-4-2-5-6-3-4/h5-7H,1-4H3;5-6H,1-4H3;2*5-6H,1-4H3;3*4-5H,1-3H3;8*1-4H3;2-3H,1H3
InChIKeyAKZNUIDGPWUYKD-UHFFFAOYSA-N
MW1675.83 g/mol
LogP30.45
Rot. Bonds

About 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

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 (PubChem CID 157148635) has the molecular formula C100H191N11O4S2 and a molecular weight of 1675.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID157148635
Molecular FormulaC100H191N11O4S2
Molecular Weight1675.83 g/mol
Exact Mass1674.45
IUPAC Name5-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
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.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.Cn1cc(C(C)(C)C)ccc1=O.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cnc1=O.Cn1cncc1C(C)(C)C
InChIInChI=1S/C10H15NO.C9H14N2O.2C8H14N2.2C7H11NO.C7H11NS.8C5H12.C4H5NS/c1-10(2,3)8-5-6-9(12)11(4)7-8;1-9(2,3)7-5-10-8(12)11(4)6-7;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;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;8*1-5(2,3)4;1-4-2-5-6-3-4/h5-7H,1-4H3;5-6H,1-4H3;2*5-6H,1-4H3;3*4-5H,1-3H3;8*1-4H3;2-3H,1H3
InChIKeyAKZNUIDGPWUYKD-UHFFFAOYSA-N
XLogP30.45
TPSA170.37 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.83
LogP ≤ 530.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole;1-ethyl-3,5-dimethylpyrazole;methane;5-methyl-1,2-oxazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 162145101
4-Tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole
CID 157257827
4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-3H-pyrrole
CID 157453524
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
1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;1-ethyl-3,5-dimethylpyrazole;5-methyl-1,2-oxazole;4-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 157707230
4-tert-butyl-3,5-dimethyl-1,2-oxazole;1-tert-butylimidazole;3-tert-butyl-1-methyl-1,2,4-triazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butyl-2H-pyridine;5-tert-butyl-2H-tetrazole;4-tert-butyl-1,3-thiazole;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole;1-(2,2-dimethylpropyl)imidazole
CID 157811197
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
4-Tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole
CID 158707423
1-Methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
CID 158777205
5-Tert-butylcyclohex-2-en-1-one;6-tert-butylcyclohex-2-en-1-one;1-tert-butyl-2-ethenylimidazole;1-tert-butyl-3-ethenylpyrazole;1-tert-butyl-2-ethynylimidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;1-tert-butyl-3-ethynylpyrazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1,3-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole;1-tert-butyl-3-fluoropyrazole
CID 159009482
1,4-Dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,3-dimethylpyrrole;3,5-dimethyl-1,2,4-thiadiazole;4,5-dimethylthiadiazole;ethane;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
CID 159280360
4-Tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-2-ethynyl-1,3-thiazole;4-tert-butyl-3-ethynyl-1,2-thiazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 159598894

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.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.Cn1cc(C(C)(C)C)ccc1=O.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cnc1=O.Cn1cncc1C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is AKZNUIDGPWUYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C9H14N2O.2C8H14N2.2C7H11NO.C7H11NS.8C5H12.C4H5NS/c1-10(2,3)8-5-6-9(12)11(4)7-8;1-9(2,3)7-5-10-8(12)11(4)6-7;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;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;8*1-5(2,3)4;1-4-2-5-6-3-4/h5-7H,1-4H3;5-6H,1-4H3;2*5-6H,1-4H3;3*4-5H,1-3H3;8*1-4H3;2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1675.83 g/mol, XLogP of 30.45, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157148635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).