methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene

C47H89N5O2S2 — CID 157224691

About methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene

methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene (PubChem CID 157224691) has the molecular formula C47H89N5O2S2 and a molecular weight of 820.40 g/mol. Its IUPAC name is methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene.

Molecular Properties

• Compound Name: methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene
• PubChem CID: 157224691
• Molecular Formula: C47H89N5O2S2
• Molecular Weight: 820.40 g/mol
• Exact Mass: 819.65
• IUPAC Name: methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene
• SMILES: C.C.C.C.C.C.C.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1cn(C)c(C)n1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1
• InChI: InChI=1S/C8H13N.C7H10O.C7H10S.C6H10N2.C6H9NO.C6H9NS.7CH4/c1-6-5-7(2)9(4)8(6)3;2*1-5-4-6(2)8-7(5)3;1-5-4-8(3)6(2)7-5;2*1-4-5(2)8-6(3)7-4;;;;;;;/h5H,1-4H3;3*4H,1-3H3;2*1-3H3;7*1H4
• InChIKey: ATKGEBLNHDSAPS-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 74.81 Ų
• H-Bond Acceptors: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.40
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene?

The IUPAC name of methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene (CID 157224691) is methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene.

What is the SMILES notation for methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene?

The canonical SMILES for methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene is C.C.C.C.C.C.C.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1cn(C)c(C)n1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.

What is the InChIKey of methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene?

The InChIKey is ATKGEBLNHDSAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C7H10O.C7H10S.C6H10N2.C6H9NO.C6H9NS.7CH4/c1-6-5-7(2)9(4)8(6)3;2*1-5-4-6(2)8-7(5)3;1-5-4-8(3)6(2)7-5;2*1-4-5(2)8-6(3)7-4;;;;;;;/h5H,1-4H3;3*4H,1-3H3;2*1-3H3;7*1H4.

What are the key properties of methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene?

methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene has a molecular weight of 820.40 g/mol, XLogP of 15.99, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1,2,3,5-tetramethylpyrrole;2,3,5-trimethylfuran;1,2,4-trimethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;2,3,5-trimethylthiophene is sourced from PubChem (CID 157224691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).