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

C29H36N6OS6 — CID 161158708

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

4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene (PubChem CID 161158708) has the molecular formula C29H36N6OS6 and a molecular weight of 677.05 g/mol. Its IUPAC name is 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene.

Molecular Properties

• Compound Name: 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene
• PubChem CID: 161158708
• Molecular Formula: C29H36N6OS6
• Molecular Weight: 677.05 g/mol
• Exact Mass: 676.13
• IUPAC Name: 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene
• SMILES: Cc1ccns1.Cc1ccsc1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1nccs1
• InChI: InChI=1S/C5H6S.C4H5NO.5C4H5NS/c1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-4H,1H3;6*2-3H,1H3
• InChIKey: UPQIMGAOZXKUJV-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 90.48 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	677.05
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene (CID 161158708) is 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene.

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

The canonical SMILES for 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene is Cc1ccns1.Cc1ccsc1.Cc1ccsn1.Cc1cncs1.Cc1cnoc1.Cc1cscn1.Cc1nccs1.

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

The InChIKey is UPQIMGAOZXKUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.C4H5NO.5C4H5NS/c1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4/h2-4H,1H3;6*2-3H,1H3.

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

4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene has a molecular weight of 677.05 g/mol, XLogP of 10.30, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1,2-oxazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;3-methylthiophene is sourced from PubChem (CID 161158708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).