4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine

C14H26N2S — CID 136964291

IUPAC4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCCC1(C/N=C2/NC(C)(CC)CS2)CCCC1
InChIInChI=1S/C14H26N2S/c1-4-13(3)11-17-12(16-13)15-10-14(5-2)8-6-7-9-14/h4-11H2,1-3H3,(H,15,16)
InChIKeyHOWLTIRGMHBSBK-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.82
Rot. Bonds4

About 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine

4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine (PubChem CID 136964291) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
PubChem CID136964291
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine
SMILESCCC1(C/N=C2/NC(C)(CC)CS2)CCCC1
InChIInChI=1S/C14H26N2S/c1-4-13(3)11-17-12(16-13)15-10-14(5-2)8-6-7-9-14/h4-11H2,1-3H3,(H,15,16)
InChIKeyHOWLTIRGMHBSBK-UHFFFAOYSA-N
XLogP3.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.82
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-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine (CID 136964291) is 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine is CCC1(C/N=C2/NC(C)(CC)CS2)CCCC1.
What is the InChIKey of 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
The InChIKey is HOWLTIRGMHBSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-13(3)11-17-12(16-13)15-10-14(5-2)8-6-7-9-14/h4-11H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine?
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine has a molecular weight of 254.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-ethylcyclopentyl)methyl]-4-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136964291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).