1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)

C73H116N4O5S5 — CID 160791427

About 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)

1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene) (PubChem CID 160791427) has the molecular formula C73H116N4O5S5 and a molecular weight of 1290.09 g/mol. Its IUPAC name is 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene).

Molecular Properties

• Compound Name: 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)
• PubChem CID: 160791427
• Molecular Formula: C73H116N4O5S5
• Molecular Weight: 1290.09 g/mol
• Exact Mass: 1288.75
• IUPAC Name: 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)
• SMILES: CC.CC.CC.CC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccoc1.Cc1ccsc1.Cc1ccsc1.Cc1ccsn1.Cn1cccc1
• InChI: InChI=1S/C6H9N.C5H7N.4C5H6O.4C5H6S.C4H5NO.C4H5NS.7C2H6/c1-6-4-3-5-7(6)2;1-6-4-2-3-5-6;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-3-5-6-4;1-4-2-3-6-5-4;7*1-2/h3-5H,1-2H3;2-5H,1H3;8*2-4H,1H3;2*2-3H,1H3;7*1-2H3
• InChIKey: SBWISSNYQWSLNO-UHFFFAOYSA-N
• XLogP: 26.55
• TPSA: 101.34 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1290.09
LogP ≤ 5	26.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)?

The IUPAC name of 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene) (CID 160791427) is 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene).

What is the SMILES notation for 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)?

The canonical SMILES for 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene) is CC.CC.CC.CC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccoc1.Cc1ccsc1.Cc1ccsc1.Cc1ccsn1.Cn1cccc1.

What is the InChIKey of 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)?

The InChIKey is SBWISSNYQWSLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C5H7N.4C5H6O.4C5H6S.C4H5NO.C4H5NS.7C2H6/c1-6-4-3-5-7(6)2;1-6-4-2-3-5-6;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5;1-4-2-3-5-6-4;1-4-2-3-6-5-4;7*1-2/h3-5H,1-2H3;2-5H,1H3;8*2-4H,1H3;2*2-3H,1H3;7*1-2H3.

What are the key properties of 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)?

1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene) has a molecular weight of 1290.09 g/mol, XLogP of 26.55, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene) is sourced from PubChem (CID 160791427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).