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

C66H126N16O3S3 — CID 159599500

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

ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 159599500) has the molecular formula C66H126N16O3S3 and a molecular weight of 1288.04 g/mol. Its IUPAC name is ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• PubChem CID: 159599500
• Molecular Formula: C66H126N16O3S3
• Molecular Weight: 1288.04 g/mol
• Exact Mass: 1286.94
• IUPAC Name: ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;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.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1ncc[nH]1
• InChI: InChI=1S/5C4H6N2.3C4H5NO.3C4H5NS.11C2H6/c2*1-4-2-5-3-6-4;1-4-2-5-6-3-4;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;11*1-2/h5*2-3H,1H3,(H,5,6);6*2-3H,1H3;11*1-2H3
• InChIKey: MLHBAXWMBVAHMK-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 260.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1288.04
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 159599500) is ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;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;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

The canonical SMILES for ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;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.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cn[nH]c1.Cc1cnc[nH]1.Cc1cnc[nH]1.Cc1cnoc1.Cc1cnsc1.Cc1ncc[nH]1.

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

The InChIKey is MLHBAXWMBVAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/5C4H6N2.3C4H5NO.3C4H5NS.11C2H6/c2*1-4-2-5-3-6-4;1-4-2-5-6-3-4;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;11*1-2/h5*2-3H,1H3,(H,5,6);6*2-3H,1H3;11*1-2H3.

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

ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 1288.04 g/mol, XLogP of 22.18, 0 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methyl-1H-imidazole;bis(5-methyl-1H-imidazole);3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 159599500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).