4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine

C15H28N2S — CID 135977179

IUPAC4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine
SMILESCCC1CCC(/N=C2/NC(CC)(CC)CS2)CC1
InChIInChI=1S/C15H28N2S/c1-4-12-7-9-13(10-8-12)16-14-17-15(5-2,6-3)11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyMKPPKLPQHVGZDA-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.21
Rot. Bonds4

About 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine

4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine (PubChem CID 135977179) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine
PubChem CID135977179
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine
SMILESCCC1CCC(/N=C2/NC(CC)(CC)CS2)CC1
InChIInChI=1S/C15H28N2S/c1-4-12-7-9-13(10-8-12)16-14-17-15(5-2,6-3)11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyMKPPKLPQHVGZDA-UHFFFAOYSA-N
XLogP4.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.21
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-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine (CID 135977179) is 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine is CCC1CCC(/N=C2/NC(CC)(CC)CS2)CC1.
What is the InChIKey of 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine?
The InChIKey is MKPPKLPQHVGZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-12-7-9-13(10-8-12)16-14-17-15(5-2,6-3)11-18-14/h12-13H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine?
4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine has a molecular weight of 268.47 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-(4-ethylcyclohexyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135977179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).