1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran

C74H134N8O4S5 — CID 157267147

About 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran

1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran (PubChem CID 157267147) has the molecular formula C74H134N8O4S5 and a molecular weight of 1360.27 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran.

Molecular Properties

• Compound Name: 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran
• PubChem CID: 157267147
• Molecular Formula: C74H134N8O4S5
• Molecular Weight: 1360.27 g/mol
• Exact Mass: 1358.91
• IUPAC Name: 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C=CSC=C1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccno1.Cc1ccns1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1
• InChI: InChI=1S/C6H8S.2C5H8N2.2C5H6O.2C5H6S.2C4H5NO.2C4H5NS.11C2H6/c1-6-2-4-7-5-3-6;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;11*1-2/h2-6H,1H3;2*3-4H,1-2H3;4*2-4H,1H3;4*2-3H,1H3;11*1-2H3
• InChIKey: AYCWAHOQNCRFBD-UHFFFAOYSA-N
• XLogP: 27.30
• TPSA: 139.76 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1360.27
LogP ≤ 5	27.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran?

The IUPAC name of 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran (CID 157267147) is 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran.

What is the SMILES notation for 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran?

The canonical SMILES for 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C=CSC=C1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1ccno1.Cc1ccns1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1ccsn1.

What is the InChIKey of 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran?

The InChIKey is AYCWAHOQNCRFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S.2C5H8N2.2C5H6O.2C5H6S.2C4H5NO.2C4H5NS.11C2H6/c1-6-2-4-7-5-3-6;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;11*1-2/h2-6H,1H3;2*3-4H,1-2H3;4*2-4H,1H3;4*2-3H,1H3;11*1-2H3.

What are the key properties of 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran?

1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran has a molecular weight of 1360.27 g/mol, XLogP of 27.30, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran is sourced from PubChem (CID 157267147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).