2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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

C72H90N6O4S9 — CID 159912014

About 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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

2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 159912014) has the molecular formula C72H90N6O4S9 and a molecular weight of 1392.15 g/mol. Its IUPAC name is 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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: 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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: 159912014
• Molecular Formula: C72H90N6O4S9
• Molecular Weight: 1392.15 g/mol
• Exact Mass: 1390.45
• IUPAC Name: 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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: Cc1ccc(-c2ccccc2C)o1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccns1.Cc1ccsn1.Cc1cncs1.Cc1cnsc1.Cc1coc(C)c1.Cc1cocc1C.Cc1csc(C)c1.Cc1cscc1C.Cc1cscn1.Cc1nccs1
• InChI: InChI=1S/C12H12O.3C6H8O.3C6H8S.6C4H5NS/c1-9-5-3-4-6-11(9)12-8-7-10(2)13-12;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;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/h3-8H,1-2H3;6*3-4H,1-2H3;6*2-3H,1H3
• InChIKey: NXHHGQSXCDCXEF-UHFFFAOYSA-N
• XLogP: 25.06
• TPSA: 129.90 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 1
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1392.15
LogP ≤ 5	25.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 159912014) is 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 Cc1ccc(-c2ccccc2C)o1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccns1.Cc1ccsn1.Cc1cncs1.Cc1cnsc1.Cc1coc(C)c1.Cc1cocc1C.Cc1csc(C)c1.Cc1cscc1C.Cc1cscn1.Cc1nccs1.

What is the InChIKey of 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 NXHHGQSXCDCXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.3C6H8O.3C6H8S.6C4H5NS/c1-9-5-3-4-6-11(9)12-8-7-10(2)13-12;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-5-3-7-4-6(5)2;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;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/h3-8H,1-2H3;6*3-4H,1-2H3;6*2-3H,1H3.

What are the key properties of 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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?

2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 1392.15 g/mol, XLogP of 25.06, 1 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylfuran;2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethylthiophene;2,5-dimethylthiophene;3,4-dimethylthiophene;2-methyl-5-(2-methylphenyl)furan;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 159912014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).