bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)

C56H84N4O3S5 — CID 157437658

About bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)

bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) (PubChem CID 157437658) has the molecular formula C56H84N4O3S5 and a molecular weight of 1021.65 g/mol. Its IUPAC name is bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole).

Molecular Properties

• Compound Name: bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)
• PubChem CID: 157437658
• Molecular Formula: C56H84N4O3S5
• Molecular Weight: 1021.65 g/mol
• Exact Mass: 1020.51
• IUPAC Name: bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)
• SMILES: Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1oc(C)c(C)c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C
• InChI: InChI=1S/2C8H12O.2C8H12S.C6H9NO.3C6H9NS/c4*1-5-6(2)8(4)9-7(5)3;2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3/h4*1-4H3;4*1-3H3
• InChIKey: BRHJITAKRJHLFU-UHFFFAOYSA-N
• XLogP: 18.80
• TPSA: 90.98 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1021.65
LogP ≤ 5	18.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)?

The IUPAC name of bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) (CID 157437658) is bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole).

What is the SMILES notation for bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)?

The canonical SMILES for bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1oc(C)c(C)c1C.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc(C)c(C)c1C.

What is the InChIKey of bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)?

The InChIKey is BRHJITAKRJHLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12O.2C8H12S.C6H9NO.3C6H9NS/c4*1-5-6(2)8(4)9-7(5)3;2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3/h4*1-4H3;4*1-3H3.

What are the key properties of bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)?

bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) has a molecular weight of 1021.65 g/mol, XLogP of 18.80, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole) is sourced from PubChem (CID 157437658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).