2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole

C92H175N15O3S3 — CID 157346164

About 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole

2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole (PubChem CID 157346164) has the molecular formula C92H175N15O3S3 and a molecular weight of 1635.71 g/mol. Its IUPAC name is 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole
• PubChem CID: 157346164
• Molecular Formula: C92H175N15O3S3
• Molecular Weight: 1635.71 g/mol
• Exact Mass: 1634.32
• IUPAC Name: 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole
• SMILES: C.C.C.C.C.C.C.C.CC.CC.CC.CC.Cc1cc(C)n(C)c1.Cc1cc(C)n(C)c1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C
• InChI: InChI=1S/3C7H12N2.2C7H11N.2C6H9NO.2C6H9NS.C6H8O.C6H8S.C5H9N3.4C2H6.8CH4/c2*1-5-6(2)9(4)7(3)8-5;1-5-6(2)8-9(4)7(5)3;2*1-6-4-7(2)8(3)5-6;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;2*1-5-3-6(2)7-4-5;1-4-6-5(2)8(3)7-4;4*1-2;;;;;;;;/h3*1-4H3;2*4-5H,1-3H3;4*1-3H3;2*3-4H,1-2H3;1-3H3;4*1-2H3;8*1H4
• InChIKey: BGZMYKHUJIZXTF-UHFFFAOYSA-N
• XLogP: 28.54
• TPSA: 185.01 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1635.71
LogP ≤ 5	28.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The IUPAC name of 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole (CID 157346164) is 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole.

What is the SMILES notation for 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The canonical SMILES for 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole is C.C.C.C.C.C.C.C.CC.CC.CC.CC.Cc1cc(C)n(C)c1.Cc1cc(C)n(C)c1.Cc1coc(C)c1.Cc1csc(C)c1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.

What is the InChIKey of 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole?

The InChIKey is BGZMYKHUJIZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.2C7H11N.2C6H9NO.2C6H9NS.C6H8O.C6H8S.C5H9N3.4C2H6.8CH4/c2*1-5-6(2)9(4)7(3)8-5;1-5-6(2)8-9(4)7(5)3;2*1-6-4-7(2)8(3)5-6;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;2*1-5-3-6(2)7-4-5;1-4-6-5(2)8(3)7-4;4*1-2;;;;;;;;/h3*1-4H3;2*4-5H,1-3H3;4*1-3H3;2*3-4H,1-2H3;1-3H3;4*1-2H3;8*1H4.

What are the key properties of 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole?

2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole has a molecular weight of 1635.71 g/mol, XLogP of 28.54, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylfuran;2,4-dimethylthiophene;ethane;methane;bis(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;bis(1,2,4-trimethylpyrrole);2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,3,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 157346164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).