4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine

C16H30N2S — CID 136883332

IUPAC4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine
SMILESCCC1(C)CS/C(=N\C2CC(C)(C)CC(C)(C)C2)N1
InChIInChI=1S/C16H30N2S/c1-7-16(6)11-19-13(18-16)17-12-8-14(2,3)10-15(4,5)9-12/h12H,7-11H2,1-6H3,(H,17,18)
InChIKeyQHTDOWUSJBAMCJ-UHFFFAOYSA-N
MW282.50 g/mol
LogP4.45
Rot. Bonds2

About 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine

4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine (PubChem CID 136883332) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine
PubChem CID136883332
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine
SMILESCCC1(C)CS/C(=N\C2CC(C)(C)CC(C)(C)C2)N1
InChIInChI=1S/C16H30N2S/c1-7-16(6)11-19-13(18-16)17-12-8-14(2,3)10-15(4,5)9-12/h12H,7-11H2,1-6H3,(H,17,18)
InChIKeyQHTDOWUSJBAMCJ-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.45
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-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine (CID 136883332) is 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine is CCC1(C)CS/C(=N\C2CC(C)(C)CC(C)(C)C2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine?
The InChIKey is QHTDOWUSJBAMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-7-16(6)11-19-13(18-16)17-12-8-14(2,3)10-15(4,5)9-12/h12H,7-11H2,1-6H3,(H,17,18).
What are the key properties of 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine?
4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine has a molecular weight of 282.50 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136883332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).