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

C11H20N2OS — CID 135998385

IUPAC4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N/CC2CCOCC2)N1
InChIInChI=1S/C11H20N2OS/c1-2-10-8-15-11(13-10)12-7-9-3-5-14-6-4-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyIVRBOSBVUCRYMB-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.88
Rot. Bonds3

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

4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine (PubChem CID 135998385) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
PubChem CID135998385
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N/CC2CCOCC2)N1
InChIInChI=1S/C11H20N2OS/c1-2-10-8-15-11(13-10)12-7-9-3-5-14-6-4-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKeyIVRBOSBVUCRYMB-UHFFFAOYSA-N
XLogP1.88
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine (CID 135998385) is 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine is CCC1CS/C(=N/CC2CCOCC2)N1.
What is the InChIKey of 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine?
The InChIKey is IVRBOSBVUCRYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-2-10-8-15-11(13-10)12-7-9-3-5-14-6-4-9/h9-10H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine?
4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine has a molecular weight of 228.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135998385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).