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

C63H111N19O3S6 — CID 161382724

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

bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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 161382724) has the molecular formula C63H111N19O3S6 and a molecular weight of 1375.11 g/mol. Its IUPAC name is bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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: bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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: 161382724
• Molecular Formula: C63H111N19O3S6
• Molecular Weight: 1375.11 g/mol
• Exact Mass: 1373.74
• IUPAC Name: bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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.CC1=CCC=N1.Cc1cnc[nH]1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cc1nnc(C)s1.Cc1nnoc1C.Cc1nnoc1C.Cc1nnsc1C.Cc1nnsc1C
• InChI: InChI=1S/C5H7N.2C4H6N2O.3C4H6N2S.2C4H6N2.C4H5NO.3C4H5NS.7C2H6/c1-5-3-2-4-6-5;2*1-3-4(2)7-6-5-3;1-3-5-6-4(2)7-3;2*1-3-4(2)7-6-5-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;7*1-2/h3-4H,2H2,1H3;5*1-2H3;2*2-3H,1H3,(H,5,6);4*2-3H,1H3;7*1-2H3
• InChIKey: VRXUXGNAHVRISO-UHFFFAOYSA-N
• XLogP: 20.16
• TPSA: 289.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1375.11
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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 bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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 161382724) is bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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 bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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 bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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.CC1=CCC=N1.Cc1cnc[nH]1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1nccs1.Cc1nnc(C)s1.Cc1nnoc1C.Cc1nnoc1C.Cc1nnsc1C.Cc1nnsc1C.

What is the InChIKey of bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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 VRXUXGNAHVRISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C4H6N2O.3C4H6N2S.2C4H6N2.C4H5NO.3C4H5NS.7C2H6/c1-5-3-2-4-6-5;2*1-3-4(2)7-6-5-3;1-3-5-6-4(2)7-3;2*1-3-4(2)7-6-5-3;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;7*1-2/h3-4H,2H2,1H3;5*1-2H3;2*2-3H,1H3,(H,5,6);4*2-3H,1H3;7*1-2H3.

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

bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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 1375.11 g/mol, XLogP of 20.16, 0 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4,5-dimethyloxadiazole);2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;2-methyl-1H-imidazole;5-methyl-1H-imidazole;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 161382724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).