5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane

C42H72N6O2S2 — CID 158101255

About 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane

5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane (PubChem CID 158101255) has the molecular formula C42H72N6O2S2 and a molecular weight of 757.21 g/mol. Its IUPAC name is 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane.

Molecular Properties

• Compound Name: 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane
• PubChem CID: 158101255
• Molecular Formula: C42H72N6O2S2
• Molecular Weight: 757.21 g/mol
• Exact Mass: 756.52
• IUPAC Name: 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane
• SMILES: C.CCc1ncsc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1nocc1C(C)(C)C
• InChI: InChI=1S/C9H15NS.C8H14N2.2C8H13NO.C8H13NS.CH4/c1-5-7-8(9(2,3)4)11-6-10-7;1-7-9-5-6-10(7)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-6-7(5-10-9-6)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;/h6H,5H2,1-4H3;5-6H,1-4H3;3*5H,1-4H3;1H4
• InChIKey: FPGZKXCJVVUUGP-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 95.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 1
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.21
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane?

The IUPAC name of 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane (CID 158101255) is 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane.

What is the SMILES notation for 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane?

The canonical SMILES for 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane is C.CCc1ncsc1C(C)(C)C.Cc1nccn1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cc1ncsc1C(C)(C)C.Cc1nocc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane?

The InChIKey is FPGZKXCJVVUUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS.C8H14N2.2C8H13NO.C8H13NS.CH4/c1-5-7-8(9(2,3)4)11-6-10-7;1-7-9-5-6-10(7)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;1-6-7(5-10-9-6)8(2,3)4;1-6-7(8(2,3)4)10-5-9-6;/h6H,5H2,1-4H3;5-6H,1-4H3;3*5H,1-4H3;1H4.

What are the key properties of 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane?

5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane has a molecular weight of 757.21 g/mol, XLogP of 12.90, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-4-ethyl-1,3-thiazole;1-tert-butyl-2-methylimidazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-4-methyl-1,3-thiazole;methane is sourced from PubChem (CID 158101255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).