4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine

C15H30N2S — CID 136731516

IUPAC4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine
SMILESCCCCC(CCC)/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C15H30N2S/c1-5-9-11-13(10-6-2)16-14-17-15(7-3,8-4)12-18-14/h13H,5-12H2,1-4H3,(H,16,17)
InChIKeyXIFUJBRRONXBLI-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.60
Rot. Bonds8

About 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine

4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine (PubChem CID 136731516) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine
PubChem CID136731516
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine
SMILESCCCCC(CCC)/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C15H30N2S/c1-5-9-11-13(10-6-2)16-14-17-15(7-3,8-4)12-18-14/h13H,5-12H2,1-4H3,(H,16,17)
InChIKeyXIFUJBRRONXBLI-UHFFFAOYSA-N
XLogP4.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine (CID 136731516) is 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine is CCCCC(CCC)/N=C1/NC(CC)(CC)CS1.
What is the InChIKey of 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine?
The InChIKey is XIFUJBRRONXBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-9-11-13(10-6-2)16-14-17-15(7-3,8-4)12-18-14/h13H,5-12H2,1-4H3,(H,16,17).
What are the key properties of 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine?
4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine has a molecular weight of 270.49 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-octan-4-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136731516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).