1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole

C57H74N16O5S6 — CID 158777205

About 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole

1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole (PubChem CID 158777205) has the molecular formula C57H74N16O5S6 and a molecular weight of 1255.73 g/mol. Its IUPAC name is 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
• PubChem CID: 158777205
• Molecular Formula: C57H74N16O5S6
• Molecular Weight: 1255.73 g/mol
• Exact Mass: 1254.44
• IUPAC Name: 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole
• SMILES: Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1
• InChI: InChI=1S/C5H7N.2C4H6N2.5C4H5NO.6C4H5NS/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-5H,1H3;2*2-4H,1H3;11*2-3H,1H3
• InChIKey: IQPOTNLMSDJSGT-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 248.06 Ų
• H-Bond Acceptors: 27
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1255.73
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The IUPAC name of 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole (CID 158777205) is 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole.

What is the SMILES notation for 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The canonical SMILES for 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole is Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cncs1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cn1cccc1.Cn1cccn1.Cn1ccnc1.

What is the InChIKey of 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

The InChIKey is IQPOTNLMSDJSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C4H6N2.5C4H5NO.6C4H5NS/c1-6-4-2-3-5-6;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-5H,1H3;2*2-4H,1H3;11*2-3H,1H3.

What are the key properties of 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole?

1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1255.73 g/mol, XLogP of 15.49, 0 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methylimidazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;1-methylpyrrole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 158777205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).