2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene

C86H144N8O3S6 — CID 158323572

About 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene

2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene (PubChem CID 158323572) has the molecular formula C86H144N8O3S6 and a molecular weight of 1530.55 g/mol. Its IUPAC name is 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene.

Molecular Properties

• Compound Name: 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene
• PubChem CID: 158323572
• Molecular Formula: C86H144N8O3S6
• Molecular Weight: 1530.55 g/mol
• Exact Mass: 1528.97
• IUPAC Name: 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene
• SMILES: CC.CC.CC.CC.CC.CC.CC.Cc1c[nH]cc1C.Cc1cc[nH]c1C.Cc1ccccc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cocc1C.Cc1cscc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnsc1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
• InChI: InChI=1S/C8H10.C6H9NO.3C6H9NS.2C6H9N.2C6H8O.2C6H8S.C4H6N2S.7C2H6/c1-7-5-3-4-6-8(7)2;2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-3-4(2)7-6-5-3;7*1-2/h3-6H,1-2H3;4*1-3H3;2*3-4,7H,1-2H3;4*3-4H,1-2H3;1-2H3;7*1-2H3
• InChIKey: GPDGKRYKHBAYEV-UHFFFAOYSA-N
• XLogP: 30.23
• TPSA: 148.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1530.55
LogP ≤ 5	30.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene?

The IUPAC name of 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene (CID 158323572) is 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene.

What is the SMILES notation for 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene?

The canonical SMILES for 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene is CC.CC.CC.CC.CC.CC.CC.Cc1c[nH]cc1C.Cc1cc[nH]c1C.Cc1ccccc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cocc1C.Cc1cscc1C.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nnsc1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.

What is the InChIKey of 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene?

The InChIKey is GPDGKRYKHBAYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H9NO.3C6H9NS.2C6H9N.2C6H8O.2C6H8S.C4H6N2S.7C2H6/c1-7-5-3-4-6-8(7)2;2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-5-3-7-4-6(5)2;1-5-3-4-7-6(5)2;1-3-4(2)7-6-5-3;7*1-2/h3-6H,1-2H3;4*1-3H3;2*3-4,7H,1-2H3;4*3-4H,1-2H3;1-2H3;7*1-2H3.

What are the key properties of 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene?

2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene has a molecular weight of 1530.55 g/mol, XLogP of 30.23, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethylfuran;3,4-dimethylfuran;2,3-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;3,4-dimethylthiophene;ethane;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene is sourced from PubChem (CID 158323572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).