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

C19H24N2O3S — CID 22962809

IUPAC(E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine
SMILESC/C=C/COc1cc(C)c(OCc2csc(/C(C)=N/OC)n2)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-6-7-8-23-17-9-13(2)18(14(3)10-17)24-11-16-12-25-19(20-16)15(4)21-22-5/h6-7,9-10,12H,8,11H2,1-5H3/b7-6+,21-15+
InChIKeyDQDZMFYVWNXPJJ-HHGKQRJHSA-N
MW360.48 g/mol
LogP4.66
Rot. Bonds8

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

(E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine (PubChem CID 22962809) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine
PubChem CID22962809
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name(E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine
SMILESC/C=C/COc1cc(C)c(OCc2csc(/C(C)=N/OC)n2)c(C)c1
InChIInChI=1S/C19H24N2O3S/c1-6-7-8-23-17-9-13(2)18(14(3)10-17)24-11-16-12-25-19(20-16)15(4)21-22-5/h6-7,9-10,12H,8,11H2,1-5H3/b7-6+,21-15+
InChIKeyDQDZMFYVWNXPJJ-HHGKQRJHSA-N
XLogP4.66
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine with MolForge

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Related Compounds

1-[5-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]pyrazin-2-yl]-N-methoxyethanimine
CID 90874821
(E)-1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxyethanimine
CID 22963017
(E)-1-[2-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-1,3-thiazol-4-yl]-N-methoxyethanimine
CID 23379243
(E)-1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3,5-dimethylphenyl]-N-methoxyethanimine
CID 22962827
1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]pyrimidin-2-yl]-N-methoxyethanimine
CID 160976770
1-[4-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]phenyl]-N-methoxyethanimine
CID 158579292
(E)-1-[4-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]phenyl]-N-methoxyethanimine
CID 22962874
1-[4-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-2,5-dimethylphenyl]-N-methoxyethanimine
CID 160806894
1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butyl]-3-pyridinyl]-N-methoxyethanimine
CID 158938958
1-[4-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]phenyl]-N-methoxyethanimine
CID 159257232
(E)-1-[3-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-1,2-oxazol-5-yl]-N-methoxyethanimine
CID 22962514
(E)-1-[5-[2-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethoxy]-2-pyridinyl]-N-methoxyethanimine
CID 23379382

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine (CID 22962809) is (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine is C/C=C/COc1cc(C)c(OCc2csc(/C(C)=N/OC)n2)c(C)c1.
What is the InChIKey of (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine?
The InChIKey is DQDZMFYVWNXPJJ-HHGKQRJHSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-6-7-8-23-17-9-13(2)18(14(3)10-17)24-11-16-12-25-19(20-16)15(4)21-22-5/h6-7,9-10,12H,8,11H2,1-5H3/b7-6+,21-15+.
What are the key properties of (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine?
(E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine has a molecular weight of 360.48 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-1,3-thiazol-2-yl]-N-methoxyethanimine is sourced from PubChem (CID 22962809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).