2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)

C85H112N8OS4 — CID 159235788

About 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)

2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene) (PubChem CID 159235788) has the molecular formula C85H112N8OS4 and a molecular weight of 1390.15 g/mol. Its IUPAC name is 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene).

Molecular Properties

• Compound Name: 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)
• PubChem CID: 159235788
• Molecular Formula: C85H112N8OS4
• Molecular Weight: 1390.15 g/mol
• Exact Mass: 1388.78
• IUPAC Name: 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)
• SMILES: Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cnc(C)s1.Cc1csc(C)c1.Cc1csc(C)n1
• InChI: InChI=1S/3C8H10.4C7H9N.C6H8O.2C6H8S.C5H8N2.2C5H7NS/c2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;3*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4/h3*3-6H,1-2H3;4*3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3,(H,6,7);2*3H,1-2H3
• InChIKey: KTLLFDQUHBGVMA-UHFFFAOYSA-N
• XLogP: 24.88
• TPSA: 119.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1390.15
LogP ≤ 5	24.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)?

The IUPAC name of 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene) (CID 159235788) is 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene).

What is the SMILES notation for 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)?

The canonical SMILES for 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene) is Cc1cc(C)[nH]n1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cccc(C)c1.Cc1cccc(C)n1.Cc1cnc(C)s1.Cc1csc(C)c1.Cc1csc(C)n1.

What is the InChIKey of 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)?

The InChIKey is KTLLFDQUHBGVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H10.4C7H9N.C6H8O.2C6H8S.C5H8N2.2C5H7NS/c2*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;3*1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5-3-4-6(2)7-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4/h3*3-6H,1-2H3;4*3-5H,1-2H3;3*3-4H,1-2H3;3H,1-2H3,(H,6,7);2*3H,1-2H3.

What are the key properties of 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)?

2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene) has a molecular weight of 1390.15 g/mol, XLogP of 24.88, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene) is sourced from PubChem (CID 159235788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).