ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

C72H138N18O3S3 — CID 159396750

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

ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 159396750) has the molecular formula C72H138N18O3S3 and a molecular weight of 1400.22 g/mol. Its IUPAC name is ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• PubChem CID: 159396750
• Molecular Formula: C72H138N18O3S3
• Molecular Weight: 1400.22 g/mol
• Exact Mass: 1399.04
• IUPAC Name: ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1ncc[nH]1.Cn1cccn1.Cn1ccnc1
• InChI: InChI=1S/6C4H6N2.3C4H5NO.3C4H5NS.12C2H6/c2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;12*1-2/h2*2-3H,1H3,(H,5,6);2*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;12*1-2H3
• InChIKey: LMUYVUBYPHDMIW-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 267.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.22
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 159396750) is ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

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

The canonical SMILES for ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1ncc[nH]1.Cn1cccn1.Cn1ccnc1.

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

The InChIKey is LMUYVUBYPHDMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H6N2.3C4H5NO.3C4H5NS.12C2H6/c2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;12*1-2/h2*2-3H,1H3,(H,5,6);2*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;12*1-2H3.

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

ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 1400.22 g/mol, XLogP of 23.33, 0 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methylimidazole;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 159396750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).