5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal

C55H96N10OS2 — CID 158922843

About 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal

5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal (PubChem CID 158922843) has the molecular formula C55H96N10OS2 and a molecular weight of 977.58 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal.

Molecular Properties

• Compound Name: 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal
• PubChem CID: 158922843
• Molecular Formula: C55H96N10OS2
• Molecular Weight: 977.58 g/mol
• Exact Mass: 976.72
• IUPAC Name: 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal
• SMILES: CC(C)(C)C=O.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cncs1.Cc1c(C(C)(C)C)cnn1C.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)n1C.Cc1nn(C)c(C)c1C(C)(C)C
• InChI: InChI=1S/C10H18N2.2C9H16N2.C8H13NS.C7H12N2.C7H11NS.C5H10O/c1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-10-6-8(11(7)5)9(2,3)4;1-7-8(9(2,3)4)6-10-11(7)5;1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-5(2,3)4-6/h1-6H3;2*6H,1-5H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3
• InChIKey: JIBCYKKMJCTUEM-UHFFFAOYSA-N
• XLogP: 14.51
• TPSA: 124.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	977.58
LogP ≤ 5	14.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal?

The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal (CID 158922843) is 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal.

What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal?

The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal is CC(C)(C)C=O.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cncs1.Cc1c(C(C)(C)C)cnn1C.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)n1C.Cc1nn(C)c(C)c1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal?

The InChIKey is JIBCYKKMJCTUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.2C9H16N2.C8H13NS.C7H12N2.C7H11NS.C5H10O/c1-7-9(10(3,4)5)8(2)12(6)11-7;1-7-10-6-8(11(7)5)9(2,3)4;1-7-8(9(2,3)4)6-10-11(7)5;1-6-9-7(5-10-6)8(2,3)4;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-5(2,3)4-6/h1-6H3;2*6H,1-5H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;4H,1-3H3.

What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal?

5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal has a molecular weight of 977.58 g/mol, XLogP of 14.51, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropanal is sourced from PubChem (CID 158922843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).