1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole

C78H139N25O2S2+2 — CID 159901041

About 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole

1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole (PubChem CID 159901041) has the molecular formula C78H139N25O2S2+2 and a molecular weight of 1523.28 g/mol. Its IUPAC name is 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole.

Molecular Properties

• Compound Name: 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole
• PubChem CID: 159901041
• Molecular Formula: C78H139N25O2S2+2
• Molecular Weight: 1523.28 g/mol
• Exact Mass: 1522.10
• IUPAC Name: 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole
• SMILES: CC(C)c1n(C)nc[n+]1C.CC(C)c1n(C)nn[n+]1C.Cc1cnc(C)n1C(C)C.Cc1cnn(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1nnc(C)n1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nocc1C(C)C.Cc1nonc1C(C)C.Cc1nsc(C)c1C(C)C.Cc1nsnc1C(C)C
• InChI: InChI=1S/3C8H14N2.C8H13NS.C7H14N3.2C7H13N3.C7H11NO.C6H13N4.C6H10N2O.C6H10N2S/c1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-7(3)5-9-10(8)4;1-6(2)10-7(3)5-9-8(10)4;1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-9(3)5-8-10(7)4;1-5(2)7-6(3)8-9-10(7)4;1-5(2)10-6(3)8-9-7(10)4;1-5(2)7-4-9-8-6(7)3;1-5(2)6-9(3)7-8-10(6)4;2*1-4(2)6-5(3)7-9-8-6/h3*5-6H,1-4H3;5H,1-4H3;5-6H,1-4H3;2*5H,1-4H3;4-5H,1-3H3;5H,1-4H3;2*4H,1-3H3/q;;;;+1;;;;+1
• InChIKey: DXFHQOVRPYMDRX-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 274.79 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1523.28
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole?

The IUPAC name of 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole (CID 159901041) is 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole.

What is the SMILES notation for 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole?

The canonical SMILES for 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole is CC(C)c1n(C)nc[n+]1C.CC(C)c1n(C)nn[n+]1C.Cc1cnc(C)n1C(C)C.Cc1cnn(C)c1C(C)C.Cc1ncn(C)c1C(C)C.Cc1nnc(C)n1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nocc1C(C)C.Cc1nonc1C(C)C.Cc1nsc(C)c1C(C)C.Cc1nsnc1C(C)C.

What is the InChIKey of 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole?

The InChIKey is DXFHQOVRPYMDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H14N2.C8H13NS.C7H14N3.2C7H13N3.C7H11NO.C6H13N4.C6H10N2O.C6H10N2S/c1-6(2)8-7(3)9-5-10(8)4;1-6(2)8-7(3)5-9-10(8)4;1-6(2)10-7(3)5-9-8(10)4;1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-9(3)5-8-10(7)4;1-5(2)7-6(3)8-9-10(7)4;1-5(2)10-6(3)8-9-7(10)4;1-5(2)7-4-9-8-6(7)3;1-5(2)6-9(3)7-8-10(6)4;2*1-4(2)6-5(3)7-9-8-6/h3*5-6H,1-4H3;5H,1-4H3;5-6H,1-4H3;2*5H,1-4H3;4-5H,1-3H3;5H,1-4H3;2*4H,1-3H3/q;;;;+1;;;;+1;;.

What are the key properties of 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole?

1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole has a molecular weight of 1523.28 g/mol, XLogP of 17.10, 11 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-yltetrazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1,4-dimethyl-5-propan-2-yl-1,2,4-triazol-4-ium;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-yl-1,2,5-thiadiazole is sourced from PubChem (CID 159901041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).