2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole

C66H80N8O8S4 — CID 158420461

About 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole

2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole (PubChem CID 158420461) has the molecular formula C66H80N8O8S4 and a molecular weight of 1241.68 g/mol. Its IUPAC name is 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole
• PubChem CID: 158420461
• Molecular Formula: C66H80N8O8S4
• Molecular Weight: 1241.68 g/mol
• Exact Mass: 1240.50
• IUPAC Name: 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole
• SMILES: Cc1ccc(-c2ccccc2)s1.Cc1ccc(C)s1.Cc1ccco1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnoc1.Cc1cocn1.Cc1csc(C)c1.Cc1ncco1.Cn1cccc1
• InChI: InChI=1S/C11H10S.2C6H8S.C5H7N.2C5H6O.6C4H5NO.C4H5NS/c1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;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;1-4-2-3-6-5-4/h2-8H,1H3;2*3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3;7*2-3H,1H3
• InChIKey: HAKUDLDQKNKGIG-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 200.28 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 1
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1241.68
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole?

The IUPAC name of 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole (CID 158420461) is 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole.

What is the SMILES notation for 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole?

The canonical SMILES for 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole is Cc1ccc(-c2ccccc2)s1.Cc1ccc(C)s1.Cc1ccco1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnoc1.Cc1cocn1.Cc1csc(C)c1.Cc1ncco1.Cn1cccc1.

What is the InChIKey of 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole?

The InChIKey is HAKUDLDQKNKGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S.2C6H8S.C5H7N.2C5H6O.6C4H5NO.C4H5NS/c1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;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;1-4-2-3-6-5-4/h2-8H,1H3;2*3-4H,1-2H3;2-5H,1H3;2*2-4H,1H3;7*2-3H,1H3.

What are the key properties of 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole?

2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole has a molecular weight of 1241.68 g/mol, XLogP of 20.00, 1 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-5-phenylthiophene;1-methylpyrrole;3-methyl-1,2-thiazole is sourced from PubChem (CID 158420461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).