(E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine

C23H32N2O4S — CID 23379243

About (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine

(E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine (PubChem CID 23379243) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine.

Molecular Properties

• Compound Name: (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine
• PubChem CID: 23379243
• Molecular Formula: C23H32N2O4S
• Molecular Weight: 432.59 g/mol
• Exact Mass: 432.21
• IUPAC Name: (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine
• SMILES: C/C=C/COc1cc(C)c(OCCCCCOc2nc(/C(C)=N/OC)cs2)c(C)c1
• InChI: InChI=1S/C23H32N2O4S/c1-6-7-11-27-20-14-17(2)22(18(3)15-20)28-12-9-8-10-13-29-23-24-21(16-30-23)19(4)25-26-5/h6-7,14-16H,8-13H2,1-5H3/b7-6+,25-19+
• InChIKey: JVWMLPQNISGFJZ-IIEBANRSSA-N
• XLogP: 5.71
• TPSA: 62.17 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine?

The IUPAC name of (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine (CID 23379243) is (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine.

What is the SMILES notation for (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine?

The canonical SMILES for (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine is C/C=C/COc1cc(C)c(OCCCCCOc2nc(/C(C)=N/OC)cs2)c(C)c1.

What is the InChIKey of (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine?

The InChIKey is JVWMLPQNISGFJZ-IIEBANRSSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-6-7-11-27-20-14-17(2)22(18(3)15-20)28-12-9-8-10-13-29-23-24-21(16-30-23)19(4)25-26-5/h6-7,14-16H,8-13H2,1-5H3/b7-6+,25-19+.

What are the key properties of (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine?

(E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine has a molecular weight of 432.59 g/mol, XLogP of 5.71, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine is sourced from PubChem (CID 23379243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).