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

C113H203N9O4S11 — CID 159605124

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

5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole (PubChem CID 159605124) has the molecular formula C113H203N9O4S11 and a molecular weight of 2104.66 g/mol. Its IUPAC name is 5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole
• PubChem CID: 159605124
• Molecular Formula: C113H203N9O4S11
• Molecular Weight: 2104.66 g/mol
• Exact Mass: 2102.29
• IUPAC Name: 5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole
• SMILES: CC(C)(C)CSCCc1cc(C(C)(C)C)on1.CC(C)(C)CSCCc1nc(C(C)(C)C)co1.CC(C)(C)CSCCc1nc(C(C)(C)C)cs1.CC(C)(C)CSCCc1ncc(C(C)(C)C)o1.CC(C)(C)CSCCc1ncc(C(C)(C)C)s1.CC(C)(C)CSCCc1nocc1C(C)(C)C.CC(C)(C)CSCCc1nscc1C(C)(C)C.Cn1nc(CCSCC(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/C15H28N2S.4C14H25NOS.3C14H25NS2/c1-14(2,3)11-18-9-8-12-10-13(15(4,5)6)17(7)16-12;1-13(2,3)10-17-8-7-12-15-11(9-16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-15-9-11(16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-11(9-16-15-12)14(4,5)6;1-13(2,3)10-17-8-7-11-9-12(16-15-11)14(4,5)6;1-13(2,3)10-16-8-7-12-15-11(9-17-12)14(4,5)6;1-13(2,3)10-16-8-7-12-15-9-11(17-12)14(4,5)6;1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6/h10H,8-9,11H2,1-7H3;7*9H,7-8,10H2,1-6H3
• InChIKey: MLZFRMJQCPSDLG-UHFFFAOYSA-N
• XLogP: 35.50
• TPSA: 160.61 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2104.66
LogP ≤ 5	35.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole (CID 159605124) is 5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole.

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

The canonical SMILES for 5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole is CC(C)(C)CSCCc1cc(C(C)(C)C)on1.CC(C)(C)CSCCc1nc(C(C)(C)C)co1.CC(C)(C)CSCCc1nc(C(C)(C)C)cs1.CC(C)(C)CSCCc1ncc(C(C)(C)C)o1.CC(C)(C)CSCCc1ncc(C(C)(C)C)s1.CC(C)(C)CSCCc1nocc1C(C)(C)C.CC(C)(C)CSCCc1nscc1C(C)(C)C.Cn1nc(CCSCC(C)(C)C)cc1C(C)(C)C.

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

The InChIKey is MLZFRMJQCPSDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S.4C14H25NOS.3C14H25NS2/c1-14(2,3)11-18-9-8-12-10-13(15(4,5)6)17(7)16-12;1-13(2,3)10-17-8-7-12-15-11(9-16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-15-9-11(16-12)14(4,5)6;1-13(2,3)10-17-8-7-12-11(9-16-15-12)14(4,5)6;1-13(2,3)10-17-8-7-11-9-12(16-15-11)14(4,5)6;1-13(2,3)10-16-8-7-12-15-11(9-17-12)14(4,5)6;1-13(2,3)10-16-8-7-12-15-9-11(17-12)14(4,5)6;1-13(2,3)10-16-8-7-12-11(9-17-15-12)14(4,5)6/h10H,8-9,11H2,1-7H3;7*9H,7-8,10H2,1-6H3.

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

5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole has a molecular weight of 2104.66 g/mol, XLogP of 35.50, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-oxazole;5-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-oxazole;4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,2-thiazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1,3-thiazole is sourced from PubChem (CID 159605124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).