4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C61H110N16O3S5 — CID 159768759

About 4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 159768759) has the molecular formula C61H110N16O3S5 and a molecular weight of 1275.99 g/mol. Its IUPAC name is 4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: 4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• PubChem CID: 159768759
• Molecular Formula: C61H110N16O3S5
• Molecular Weight: 1275.99 g/mol
• Exact Mass: 1274.76
• IUPAC Name: 4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.Cc1cnc[nH]1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1nnoc1C.Cc1nnsc1C.Cc1nnsc1C
• InChI: InChI=1S/C5H7N.C4H6N2O.2C4H6N2S.2C4H6N2.2C4H5NO.3C4H5NS.8C2H6/c1-5-3-2-4-6-5;3*1-3-4(2)7-6-5-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;8*1-2/h3-4H,2H2,1H3;3*1-2H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;8*1-2H3
• InChIKey: NFVNHXJTTQVLLY-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 250.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.99
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 159768759) is 4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

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

The canonical SMILES for 4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC1=CCC=N1.Cc1cnc[nH]1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1nnoc1C.Cc1nnsc1C.Cc1nnsc1C.

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

The InChIKey is NFVNHXJTTQVLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C4H6N2O.2C4H6N2S.2C4H6N2.2C4H5NO.3C4H5NS.8C2H6/c1-5-3-2-4-6-5;3*1-3-4(2)7-6-5-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;8*1-2/h3-4H,2H2,1H3;3*1-2H3;2*2-3H,1H3,(H,5,6);5*2-3H,1H3;8*1-2H3.

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

4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1275.99 g/mol, XLogP of 20.33, 0 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyloxadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 159768759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).