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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C66H125N15O4S3 — CID 158805513

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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 158805513) has the molecular formula C66H125N15O4S3 and a molecular weight of 1289.03 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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• PubChem CID: 158805513
• Molecular Formula: C66H125N15O4S3
• Molecular Weight: 1289.03 g/mol
• Exact Mass: 1287.92
• 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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccon1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cn1ccnc1
• InChI: InChI=1S/4C4H6N2.4C4H5NO.3C4H5NS.11C2H6/c2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;11*1-2/h2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);7*2-3H,1H3;11*1-2H3
• InChIKey: IUAJYMYXXIKWEK-UHFFFAOYSA-N
• XLogP: 22.15
• TPSA: 246.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.03
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 158805513) 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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccon1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

The InChIKey is IUAJYMYXXIKWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H6N2.4C4H5NO.3C4H5NS.11C2H6/c2*1-4-2-5-3-6-4;1-6-3-2-5-4-6;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;11*1-2/h2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);7*2-3H,1H3;11*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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1289.03 g/mol, XLogP of 22.15, 0 rotatable bonds, 3 hydrogen bond donors, and 19 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;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 158805513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).