5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole

C118H223N15O5S2 — CID 160871371

IUPAC5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(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)C.CC(C)(C)c1cncs1.Cc1cnsc1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cnc1=O.Cn1cc(C(C)(C)C)ncc1=O.Cn1ccc(C(C)(C)C)cc1=O.Cn1cncc1C(C)(C)C.Cn1nc(C(C)(C)C)ccc1=O.Cn1ncc(C(C)(C)C)cc1=O
InChIInChI=1S/C10H15NO.4C9H14N2O.2C8H14N2.C7H11NS.9C5H12.C4H5NS/c1-10(2,3)8-5-6-11(4)9(12)7-8;1-9(2,3)7-6-11(4)8(12)5-10-7;1-9(2,3)7-5-10-8(12)11(4)6-7;1-9(2,3)7-5-8(12)11(4)10-6-7;1-9(2,3)7-5-6-8(12)11(4)10-7;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;9*1-5(2,3)4;1-4-2-5-6-3-4/h5-7H,1-4H3;4*5-6H,1-4H3;2*5-6H,1-4H3;4-5H,1-3H3;9*1-4H3;2-3H,1H3
InChIKeySLUMQYJIRMVGII-UHFFFAOYSA-N
MW1996.32 g/mol
LogP31.79
Rot. Bonds

About 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole

5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole (PubChem CID 160871371) has the molecular formula C118H223N15O5S2 and a molecular weight of 1996.32 g/mol. Its IUPAC name is 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole
PubChem CID160871371
Molecular FormulaC118H223N15O5S2
Molecular Weight1996.32 g/mol
Exact Mass1994.71
IUPAC Name5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(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)C.CC(C)(C)c1cncs1.Cc1cnsc1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cnc1=O.Cn1cc(C(C)(C)C)ncc1=O.Cn1ccc(C(C)(C)C)cc1=O.Cn1cncc1C(C)(C)C.Cn1nc(C(C)(C)C)ccc1=O.Cn1ncc(C(C)(C)C)cc1=O
InChIInChI=1S/C10H15NO.4C9H14N2O.2C8H14N2.C7H11NS.9C5H12.C4H5NS/c1-10(2,3)8-5-6-11(4)9(12)7-8;1-9(2,3)7-6-11(4)8(12)5-10-7;1-9(2,3)7-5-10-8(12)11(4)6-7;1-9(2,3)7-5-8(12)11(4)10-6-7;1-9(2,3)7-5-6-8(12)11(4)10-7;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;9*1-5(2,3)4;1-4-2-5-6-3-4/h5-7H,1-4H3;4*5-6H,1-4H3;2*5-6H,1-4H3;4-5H,1-3H3;9*1-4H3;2-3H,1H3
InChIKeySLUMQYJIRMVGII-UHFFFAOYSA-N
XLogP31.79
TPSA222.98 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001996.32
LogP ≤ 531.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole?
The IUPAC name of 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole (CID 160871371) is 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole.
What is the SMILES notation for 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole?
The canonical SMILES for 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(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)C.CC(C)(C)c1cncs1.Cc1cnsc1.Cn1cc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)cnc1=O.Cn1cc(C(C)(C)C)ncc1=O.Cn1ccc(C(C)(C)C)cc1=O.Cn1cncc1C(C)(C)C.Cn1nc(C(C)(C)C)ccc1=O.Cn1ncc(C(C)(C)C)cc1=O.
What is the InChIKey of 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole?
The InChIKey is SLUMQYJIRMVGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.4C9H14N2O.2C8H14N2.C7H11NS.9C5H12.C4H5NS/c1-10(2,3)8-5-6-11(4)9(12)7-8;1-9(2,3)7-6-11(4)8(12)5-10-7;1-9(2,3)7-5-10-8(12)11(4)6-7;1-9(2,3)7-5-8(12)11(4)10-6-7;1-9(2,3)7-5-6-8(12)11(4)10-7;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;9*1-5(2,3)4;1-4-2-5-6-3-4/h5-7H,1-4H3;4*5-6H,1-4H3;2*5-6H,1-4H3;4-5H,1-3H3;9*1-4H3;2-3H,1H3.
What are the key properties of 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole?
5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole has a molecular weight of 1996.32 g/mol, XLogP of 31.79, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazin-2-one;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridazin-3-one;6-tert-butyl-2-methylpyridazin-3-one;4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyrimidin-2-one;5-tert-butyl-1,3-thiazole;nonakis(2,2-dimethylpropane);4-methyl-1,2-thiazole is sourced from PubChem (CID 160871371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).