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

C12H22N2S — CID 136867396

IUPAC4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CC2CCC(C)C2)N1
InChIInChI=1S/C12H22N2S/c1-3-11-8-15-12(14-11)13-7-10-5-4-9(2)6-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyXTQUHXUEFXPDHH-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.89
Rot. Bonds3

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

4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 136867396) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
PubChem CID136867396
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CC2CCC(C)C2)N1
InChIInChI=1S/C12H22N2S/c1-3-11-8-15-12(14-11)13-7-10-5-4-9(2)6-10/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyXTQUHXUEFXPDHH-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine (CID 136867396) is 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CC2CCC(C)C2)N1.
What is the InChIKey of 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is XTQUHXUEFXPDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-3-11-8-15-12(14-11)13-7-10-5-4-9(2)6-10/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine?
4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 226.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136867396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).