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

C60H114N14O3S3 — CID 159756186

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-1,3-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-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 159756186) has the molecular formula C60H114N14O3S3 and a molecular weight of 1175.87 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-1,3-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-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• PubChem CID: 159756186
• Molecular Formula: C60H114N14O3S3
• Molecular Weight: 1175.87 g/mol
• Exact Mass: 1174.84
• 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-1,3-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.Cc1ccon1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cn1ccnc1
• InChI: InChI=1S/4C4H6N2.3C4H5NO.3C4H5NS.10C2H6/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;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;10*1-2/h2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;10*1-2H3
• InChIKey: NEHIBKONZGWHTE-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 220.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.87
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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-1,3-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-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 159756186) 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-1,3-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-1,3-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-1,3-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.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-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?

The InChIKey is NEHIBKONZGWHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H6N2.3C4H5NO.3C4H5NS.10C2H6/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;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;10*1-2/h2*2-3H,1H3,(H,5,6);2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;10*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-1,3-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-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1175.87 g/mol, XLogP of 20.14, 0 rotatable bonds, 3 hydrogen bond donors, and 17 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-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159756186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).