4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine

C10H20N2OS — CID 135973739

IUPAC4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCCCOC)N1
InChIInChI=1S/C10H20N2OS/c1-3-9-8-14-10(12-9)11-6-4-5-7-13-2/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyWEOQOQWICDFRMP-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.88
Rot. Bonds6

About 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine

4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine (PubChem CID 135973739) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
PubChem CID135973739
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCCCOC)N1
InChIInChI=1S/C10H20N2OS/c1-3-9-8-14-10(12-9)11-6-4-5-7-13-2/h9H,3-8H2,1-2H3,(H,11,12)
InChIKeyWEOQOQWICDFRMP-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine (CID 135973739) is 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CCCCOC)N1.
What is the InChIKey of 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine?
The InChIKey is WEOQOQWICDFRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-9-8-14-10(12-9)11-6-4-5-7-13-2/h9H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine?
4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine has a molecular weight of 216.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135973739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).