5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one

C20H28N4O3SSi — CID 139797483

IUPAC5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one
SMILESCOC1NN(C)C(=O)N1c1ccsc1CO/N=C(\C)c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C20H28N4O3SSi/c1-14(15-8-7-9-16(12-15)29(4,5)6)22-27-13-18-17(10-11-28-18)24-19(26-3)21-23(2)20(24)25/h7-12,19,21H,13H2,1-6H3/b22-14+
InChIKeyXRCWCUFPVRTLEO-HYARGMPZSA-N
MW432.62 g/mol
LogP3.54
Rot. Bonds7

About 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one

5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one (PubChem CID 139797483) has the molecular formula C20H28N4O3SSi and a molecular weight of 432.62 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one
PubChem CID139797483
Molecular FormulaC20H28N4O3SSi
Molecular Weight432.62 g/mol
Exact Mass432.17
IUPAC Name5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one
SMILESCOC1NN(C)C(=O)N1c1ccsc1CO/N=C(\C)c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C20H28N4O3SSi/c1-14(15-8-7-9-16(12-15)29(4,5)6)22-27-13-18-17(10-11-28-18)24-19(26-3)21-23(2)20(24)25/h7-12,19,21H,13H2,1-6H3/b22-14+
InChIKeyXRCWCUFPVRTLEO-HYARGMPZSA-N
XLogP3.54
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.62
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one?
The IUPAC name of 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one (CID 139797483) is 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one.
What is the SMILES notation for 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one?
The canonical SMILES for 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one is COC1NN(C)C(=O)N1c1ccsc1CO/N=C(\C)c1cccc([Si](C)(C)C)c1.
What is the InChIKey of 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one?
The InChIKey is XRCWCUFPVRTLEO-HYARGMPZSA-N. The full InChI is InChI=1S/C20H28N4O3SSi/c1-14(15-8-7-9-16(12-15)29(4,5)6)22-27-13-18-17(10-11-28-18)24-19(26-3)21-23(2)20(24)25/h7-12,19,21H,13H2,1-6H3/b22-14+.
What are the key properties of 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one?
5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one has a molecular weight of 432.62 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-[2-[[(E)-1-(3-trimethylsilylphenyl)ethylideneamino]oxymethyl]thiophen-3-yl]-1,2,4-triazolidin-3-one is sourced from PubChem (CID 139797483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).