5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane

C₁₁₅H₂₃₃N₃₁O₂S — CID 157081227

About 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane

5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane (PubChem CID 157081227) has the molecular formula C₁₁₅H₂₃₃N₃₁O₂S and a molecular weight of 2114.41 g/mol. Its IUPAC name is 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane.

Molecular Properties

• Compound Name: 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane
• PubChem CID: 157081227
• Molecular Formula: C₁₁₅H₂₃₃N₃₁O₂S
• Molecular Weight: 2114.41 g/mol
• Exact Mass: 2112.88
• IUPAC Name: 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cn[nH]c1.CC(C)(C)n1ccc(N)n1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1nccn1.CNc1ccn(C(C)(C)C)n1.Cc1cc(C(C)(C)C)n[nH]1.Cc1cnc(C(C)(C)C)o1.Cc1nc(C)c(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)o1.Cn1cc(C(C)(C)C)cn1
• InChI: InChI=1S/C9H15NS.C8H15N3.2C8H14N2.C8H13NO.C7H13N3.C7H12N2O.4C7H12N2.3C6H11N3.14CH4/c1-6-8(9(3,4)5)11-7(2)10-6;1-8(2,3)11-6-5-7(9-4)10-11;1-8(2,3)7-5-9-10(4)6-7;1-6-5-7(10-9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)10-5-4-6(8)9-10;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;;;;;;;;;;;;;;/h1-5H3;5-6H,1-4H3,(H,9,10);5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-5H,1-3H3,(H2,8,9);1-4H3;4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;14*1H4
• InChIKey: ADOLBPKBLZBYLJ-UHFFFAOYSA-N
• XLogP: 32.34
• TPSA: 383.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 1
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2114.41
LogP ≤ 5	32.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane?

The IUPAC name of 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane (CID 157081227) is 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane.

What is the SMILES notation for 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane?

The canonical SMILES for 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1cn[nH]c1.CC(C)(C)n1ccc(N)n1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1nccn1.CNc1ccn(C(C)(C)C)n1.Cc1cc(C(C)(C)C)n[nH]1.Cc1cnc(C(C)(C)C)o1.Cc1nc(C)c(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)o1.Cn1cc(C(C)(C)C)cn1.

What is the InChIKey of 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane?

The InChIKey is ADOLBPKBLZBYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.C8H15N3.2C8H14N2.C8H13NO.C7H13N3.C7H12N2O.4C7H12N2.3C6H11N3.14CH4/c1-6-8(9(3,4)5)11-7(2)10-6;1-8(2,3)11-6-5-7(9-4)10-11;1-8(2,3)7-5-9-10(4)6-7;1-6-5-7(10-9-6)8(2,3)4;1-6-5-9-7(10-6)8(2,3)4;1-7(2,3)10-5-4-6(8)9-10;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;;;;;;;;;;;;;;/h1-5H3;5-6H,1-4H3,(H,9,10);5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-5H,1-3H3,(H2,8,9);1-4H3;4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;14*1H4.

What are the key properties of 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane?

5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane has a molecular weight of 2114.41 g/mol, XLogP of 32.34, 1 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2,4-dimethyl-1,3-thiazole;1-tert-butylimidazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-N-methylpyrazol-3-amine;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-1-methylpyrazole;1-tert-butylpyrazol-3-amine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;methane is sourced from PubChem (CID 157081227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157081227 — identifiers, structure, computed properties (public domain)

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