bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

C56H100N12O5S5 — CID 160506838

About bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 160506838) has the molecular formula C56H100N12O5S5 and a molecular weight of 1181.83 g/mol. Its IUPAC name is bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• PubChem CID: 160506838
• Molecular Formula: C56H100N12O5S5
• Molecular Weight: 1181.83 g/mol
• Exact Mass: 1180.65
• IUPAC Name: bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1nnsc1C.Cc1nnsc1C
• InChI: InChI=1S/2C4H6N2S.5C4H5NO.3C4H5NS.8C2H6/c2*1-3-4(2)7-6-5-3;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;8*1-2/h2*1-2H3;8*2-3H,1H3;8*1-2H3
• InChIKey: QSNFWKNVJZNWKG-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 220.38 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1181.83
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

The IUPAC name of bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 160506838) is bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

What is the SMILES notation for bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

The canonical SMILES for bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccno1.Cc1ccns1.Cc1ccon1.Cc1ccsn1.Cc1cnco1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1nnsc1C.Cc1nnsc1C.

What is the InChIKey of bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

The InChIKey is QSNFWKNVJZNWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6N2S.5C4H5NO.3C4H5NS.8C2H6/c2*1-3-4(2)7-6-5-3;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;8*1-2/h2*1-2H3;8*2-3H,1H3;8*1-2H3.

What are the key properties of bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?

bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 1181.83 g/mol, XLogP of 19.79, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4,5-dimethylthiadiazole);ethane;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;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 160506838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).