5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole

C110H195N11O4S12 — CID 160762393

About 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole

5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole (PubChem CID 160762393) has the molecular formula C110H195N11O4S12 and a molecular weight of 2120.65 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole
• PubChem CID: 160762393
• Molecular Formula: C110H195N11O4S12
• Molecular Weight: 2120.65 g/mol
• Exact Mass: 2118.20
• IUPAC Name: 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole
• SMILES: CC(C)(C)CSc1cc(C(C)(C)C)on1.CC(C)(C)CSc1nc(C(C)(C)C)co1.CC(C)(C)CSc1nc(C(C)(C)C)cs1.CC(C)(C)CSc1ncc(C(C)(C)C)o1.CC(C)(C)CSc1ncc(C(C)(C)C)s1.CC(C)(C)CSc1nocc1C(C)(C)C.CC(C)(C)CSc1nscc1C(C)(C)C.Cn1c(C(C)(C)C)cnc1SCC(C)(C)C.Cn1nc(SCC(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/2C13H24N2S.4C12H21NOS.3C12H21NS2/c1-12(2,3)9-16-11-14-8-10(15(11)7)13(4,5)6;1-12(2,3)9-16-11-8-10(13(4,5)6)15(7)14-11;1-11(2,3)8-15-10-13-9(7-14-10)12(4,5)6;1-11(2,3)8-15-10-13-7-9(14-10)12(4,5)6;1-11(2,3)8-15-10-9(7-14-13-10)12(4,5)6;1-11(2,3)8-15-10-7-9(14-13-10)12(4,5)6;1-11(2,3)8-15-10-13-9(7-14-10)12(4,5)6;1-11(2,3)8-14-10-13-7-9(15-10)12(4,5)6;1-11(2,3)8-14-10-9(7-15-13-10)12(4,5)6/h2*8H,9H2,1-7H3;7*7H,8H2,1-6H3
• InChIKey: RYFSTNQQRBTVDT-UHFFFAOYSA-N
• XLogP: 37.89
• TPSA: 178.43 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.65
LogP ≤ 5	37.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole?

The IUPAC name of 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole (CID 160762393) is 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole.

What is the SMILES notation for 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole?

The canonical SMILES for 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole is CC(C)(C)CSc1cc(C(C)(C)C)on1.CC(C)(C)CSc1nc(C(C)(C)C)co1.CC(C)(C)CSc1nc(C(C)(C)C)cs1.CC(C)(C)CSc1ncc(C(C)(C)C)o1.CC(C)(C)CSc1ncc(C(C)(C)C)s1.CC(C)(C)CSc1nocc1C(C)(C)C.CC(C)(C)CSc1nscc1C(C)(C)C.Cn1c(C(C)(C)C)cnc1SCC(C)(C)C.Cn1nc(SCC(C)(C)C)cc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole?

The InChIKey is RYFSTNQQRBTVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24N2S.4C12H21NOS.3C12H21NS2/c1-12(2,3)9-16-11-14-8-10(15(11)7)13(4,5)6;1-12(2,3)9-16-11-8-10(13(4,5)6)15(7)14-11;1-11(2,3)8-15-10-13-9(7-14-10)12(4,5)6;1-11(2,3)8-15-10-13-7-9(14-10)12(4,5)6;1-11(2,3)8-15-10-9(7-14-13-10)12(4,5)6;1-11(2,3)8-15-10-7-9(14-13-10)12(4,5)6;1-11(2,3)8-15-10-13-9(7-14-10)12(4,5)6;1-11(2,3)8-14-10-13-7-9(15-10)12(4,5)6;1-11(2,3)8-14-10-9(7-15-13-10)12(4,5)6/h2*8H,9H2,1-7H3;7*7H,8H2,1-6H3.

What are the key properties of 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole?

5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole has a molecular weight of 2120.65 g/mol, XLogP of 37.89, 18 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1-methylimidazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1-methylpyrazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-oxazole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-oxazole;4-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole;4-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole;5-tert-butyl-2-(2,2-dimethylpropylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 160762393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).