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;tris(3,4,5-trimethyl-1,2-thiazole)

C62H93N5O3S6 — CID 163587653

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;tris(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;tris(3,4,5-trimethyl-1,2-thiazole) (PubChem CID 163587653) has the molecular formula C62H93N5O3S6 and a molecular weight of 1148.86 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;tris(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;tris(3,4,5-trimethyl-1,2-thiazole)
• PubChem CID: 163587653
• Molecular Formula: C62H93N5O3S6
• Molecular Weight: 1148.86 g/mol
• Exact Mass: 1147.56
• 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;tris(3,4,5-trimethyl-1,2-thiazole)
• SMILES: Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nsc(C)c1C.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.4C6H9NS/c4*1-5-6(2)8(4)9-7(5)3;2*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3/h4*1-4H3;5*1-3H3
• InChIKey: GMVKHYLMAWZPAM-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 103.87 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1148.86
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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;tris(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;tris(3,4,5-trimethyl-1,2-thiazole) (CID 163587653) 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;tris(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;tris(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;tris(3,4,5-trimethyl-1,2-thiazole) is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nsc(C)c1C.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;tris(3,4,5-trimethyl-1,2-thiazole)?

The InChIKey is GMVKHYLMAWZPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12O.2C8H12S.C6H9NO.4C6H9NS/c4*1-5-6(2)8(4)9-7(5)3;2*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3/h4*1-4H3;5*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;tris(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;tris(3,4,5-trimethyl-1,2-thiazole) has a molecular weight of 1148.86 g/mol, XLogP of 20.86, 0 rotatable bonds, 0 hydrogen bond donors, and 14 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;tris(3,4,5-trimethyl-1,2-thiazole) is sourced from PubChem (CID 163587653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).