bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)

C71H114N16O4S2 — CID 158123472

About bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)

bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) (PubChem CID 158123472) has the molecular formula C71H114N16O4S2 and a molecular weight of 1319.93 g/mol. Its IUPAC name is bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole).

Molecular Properties

• Compound Name: bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
• PubChem CID: 158123472
• Molecular Formula: C71H114N16O4S2
• Molecular Weight: 1319.93 g/mol
• Exact Mass: 1318.87
• IUPAC Name: bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
• SMILES: Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C
• InChI: InChI=1S/5C7H12N2.4C6H9NO.2C6H9NS/c2*1-5-6(2)9(4)7(3)8-5;3*1-5-6(2)8-9(4)7(5)3;2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4/h5*1-4H3;6*1-3H3
• InChIKey: FRWMTCDVRLYPJV-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 219.00 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1319.93
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)?

The IUPAC name of bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) (CID 158123472) is bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole).

What is the SMILES notation for bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)?

The canonical SMILES for bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nc(C)n(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.

What is the InChIKey of bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)?

The InChIKey is FRWMTCDVRLYPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/5C7H12N2.4C6H9NO.2C6H9NS/c2*1-5-6(2)9(4)7(3)8-5;3*1-5-6(2)8-9(4)7(5)3;2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4/h5*1-4H3;6*1-3H3.

What are the key properties of bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)?

bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) has a molecular weight of 1319.93 g/mol, XLogP of 17.26, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole) is sourced from PubChem (CID 158123472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).