2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene

C44H56N8O2S6 — CID 158599920

About 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene

2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene (PubChem CID 158599920) has the molecular formula C44H56N8O2S6 and a molecular weight of 921.39 g/mol. Its IUPAC name is 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene.

Molecular Properties

• Compound Name: 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
• PubChem CID: 158599920
• Molecular Formula: C44H56N8O2S6
• Molecular Weight: 921.39 g/mol
• Exact Mass: 920.29
• IUPAC Name: 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
• SMILES: CC1=NCC=C1.CC1=NCC=C1.Cc1ccco1.Cc1cccs1.Cc1cncs1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cc1nccs1
• InChI: InChI=1S/2C5H7N.C5H6O.C5H6S.C4H5NO.5C4H5NS/c4*1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;3*1-4-5-2-3-6-4/h2*2-3H,4H2,1H3;2*2-4H,1H3;6*2-3H,1H3
• InChIKey: HVMVWYWUVBFCFN-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 128.34 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	921.39
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?

The IUPAC name of 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene (CID 158599920) is 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene.

What is the SMILES notation for 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?

The canonical SMILES for 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene is CC1=NCC=C1.CC1=NCC=C1.Cc1ccco1.Cc1cccs1.Cc1cncs1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cc1nccs1.Cc1nccs1.

What is the InChIKey of 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?

The InChIKey is HVMVWYWUVBFCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.C5H6O.C5H6S.C4H5NO.5C4H5NS/c4*1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;3*1-4-5-2-3-6-4/h2*2-3H,4H2,1H3;2*2-4H,1H3;6*2-3H,1H3.

What are the key properties of 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene?

2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene has a molecular weight of 921.39 g/mol, XLogP of 13.92, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylfuran;2-methyl-1,3-oxazole;bis(5-methyl-2H-pyrrole);tris(2-methyl-1,3-thiazole);4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene is sourced from PubChem (CID 158599920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).