bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)

C66H112N10O4S3 — CID 158744874

About bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)

bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene) (PubChem CID 158744874) has the molecular formula C66H112N10O4S3 and a molecular weight of 1205.89 g/mol. Its IUPAC name is bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene).

Molecular Properties

• Compound Name: bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)
• PubChem CID: 158744874
• Molecular Formula: C66H112N10O4S3
• Molecular Weight: 1205.89 g/mol
• Exact Mass: 1204.80
• IUPAC Name: bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)
• SMILES: CC.CC.CC.CC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1ccno1.Cc1ccsn1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1.Cn1cccn1
• InChI: InChI=1S/C6H9N.2C5H8N2.2C5H6O.2C5H6S.C4H6N2.2C4H5NO.C4H5NS.7C2H6/c1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;4*1-5-3-2-4-6-5;1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4;7*1-2/h3-5H,1-2H3;2*3-4H,1-2H3;5*2-4H,1H3;3*2-3H,1H3;7*1-2H3
• InChIKey: IMTKOCSRWRODJZ-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 149.62 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1205.89
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)?

The IUPAC name of bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene) (CID 158744874) is bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene).

What is the SMILES notation for bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)?

The canonical SMILES for bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene) is CC.CC.CC.CC.CC.CC.CC.Cc1cccn1C.Cc1ccco1.Cc1ccco1.Cc1cccs1.Cc1cccs1.Cc1ccno1.Cc1ccsn1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1.Cn1cccn1.

What is the InChIKey of bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)?

The InChIKey is IMTKOCSRWRODJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.2C5H8N2.2C5H6O.2C5H6S.C4H6N2.2C4H5NO.C4H5NS.7C2H6/c1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;4*1-5-3-2-4-6-5;1-6-4-2-3-5-6;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-3-6-5-4;7*1-2/h3-5H,1-2H3;2*3-4H,1-2H3;5*2-4H,1H3;3*2-3H,1H3;7*1-2H3.

What are the key properties of bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene)?

bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene) has a molecular weight of 1205.89 g/mol, XLogP of 21.10, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,4-dimethylpyrazole);1,2-dimethylpyrrole;ethane;bis(2-methylfuran);4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;bis(2-methylthiophene) is sourced from PubChem (CID 158744874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).