2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole

C63H112N18OS6+2 — CID 160805095

About 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole

2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole (PubChem CID 160805095) has the molecular formula C63H112N18OS6+2 and a molecular weight of 1330.12 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
• PubChem CID: 160805095
• Molecular Formula: C63H112N18OS6+2
• Molecular Weight: 1330.12 g/mol
• Exact Mass: 1328.76
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole
• SMILES: CC.CC.CC.CC.CC.CC.CC.Cc1ccc[n+](C)c1.Cc1cccc[n+]1C.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnsc1C.Cc1nnsc1C.Cn1ccnc1.Cn1cncn1
• InChI: InChI=1S/2C7H10N.C4H6N2O.3C4H6N2S.C4H6N2.3C4H5NS.C3H5N3.7C2H6/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-3-5-6-4(2)7-3;2*1-3-4(2)7-6-5-3;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;7*1-2/h2*3-6H,1-2H3;4*1-2H3;2-4H,1H3;4*2-3H,1H3;7*1-2H3/q2*+1
• InChIKey: VVNJBTMFOSRFJH-UHFFFAOYSA-N
• XLogP: 17.56
• TPSA: 211.22 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1330.12
LogP ≤ 5	17.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole (CID 160805095) is 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole.

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole is CC.CC.CC.CC.CC.CC.CC.Cc1ccc[n+](C)c1.Cc1cccc[n+]1C.Cc1cncs1.Cc1cscn1.Cc1nccs1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1nnsc1C.Cc1nnsc1C.Cn1ccnc1.Cn1cncn1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

The InChIKey is VVNJBTMFOSRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10N.C4H6N2O.3C4H6N2S.C4H6N2.3C4H5NS.C3H5N3.7C2H6/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-3-5-6-4(2)7-3;2*1-3-4(2)7-6-5-3;1-6-3-2-5-4-6;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-6-3-4-2-5-6;7*1-2/h2*3-6H,1-2H3;4*1-2H3;2-4H,1H3;4*2-3H,1H3;7*1-2H3/q2*+1;;;;;;;;;;;;;;;;.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole?

2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole has a molecular weight of 1330.12 g/mol, XLogP of 17.56, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;1,2-dimethylpyridin-1-ium;1,3-dimethylpyridin-1-ium;2,5-dimethyl-1,3,4-thiadiazole;bis(4,5-dimethylthiadiazole);ethane;1-methylimidazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole is sourced from PubChem (CID 160805095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).