4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine

C13H24N2O2S — CID 137016836

IUPAC4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CC2(OC)CCOC2)N1
InChIInChI=1S/C13H24N2O2S/c1-4-12(5-2)10-18-11(15-12)14-8-13(16-3)6-7-17-9-13/h4-10H2,1-3H3,(H,14,15)
InChIKeyVZCYHVHFEZNYHB-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.04
Rot. Bonds5

About 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine

4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 137016836) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine
PubChem CID137016836
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\CC2(OC)CCOC2)N1
InChIInChI=1S/C13H24N2O2S/c1-4-12(5-2)10-18-11(15-12)14-8-13(16-3)6-7-17-9-13/h4-10H2,1-3H3,(H,14,15)
InChIKeyVZCYHVHFEZNYHB-UHFFFAOYSA-N
XLogP2.04
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136817020
4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136933426
N-[(1-cyclopropylcyclopropyl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136870697
4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
CID 136762681
N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136954513
5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one
CID 135978278
4,4-diethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135977043
N-(2-cyclohexylethyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977294
2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide
CID 136748295
N-(3-cyclopentylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 137000525
3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
CID 104766524
N-(2-ethoxy-2-methylpropyl)-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136730382

Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine (CID 137016836) is 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine is CCC1(CC)CS/C(=N\CC2(OC)CCOC2)N1.
What is the InChIKey of 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is VZCYHVHFEZNYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-4-12(5-2)10-18-11(15-12)14-8-13(16-3)6-7-17-9-13/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine?
4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 272.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137016836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).