ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)

C91H173N21O4S4 — CID 157215772

About ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)

ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 157215772) has the molecular formula C91H173N21O4S4 and a molecular weight of 1753.80 g/mol. Its IUPAC name is ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
• PubChem CID: 157215772
• Molecular Formula: C91H173N21O4S4
• Molecular Weight: 1753.80 g/mol
• Exact Mass: 1752.29
• IUPAC Name: ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cn1cccn1
• InChI: InChI=1S/C5H7N.C5H6O.C5H6S.4C4H6N2.3C4H5NO.3C4H5NS.2C3H5N3.15C2H6/c3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-3-4-2-5-6-3;15*1-2/h2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;2*2H,1H3,(H,4,5,6);15*1-2H3
• InChIKey: ASJZOZLLKRLSKZ-UHFFFAOYSA-N
• XLogP: 30.46
• TPSA: 332.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1753.80
LogP ≤ 5	30.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) (CID 157215772) is ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole).

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

The canonical SMILES for ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cn1cccn1.

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

The InChIKey is ASJZOZLLKRLSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H6O.C5H6S.4C4H6N2.3C4H5NO.3C4H5NS.2C3H5N3.15C2H6/c3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-3-4-2-5-6-3;15*1-2/h2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;2*2H,1H3,(H,4,5,6);15*1-2H3.

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

ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 1753.80 g/mol, XLogP of 30.46, 0 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 157215772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).