N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine

C13H24N2OS — CID 137010908

IUPACN-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\C2CCCC2(C)C)N1
InChIInChI=1S/C13H24N2OS/c1-13(2)7-4-5-11(13)15-12-14-10(9-17-12)6-8-16-3/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyUBHQZPLZWGYDCR-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds4

About N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine

N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine (PubChem CID 137010908) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
PubChem CID137010908
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\C2CCCC2(C)C)N1
InChIInChI=1S/C13H24N2OS/c1-13(2)7-4-5-11(13)15-12-14-10(9-17-12)6-8-16-3/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyUBHQZPLZWGYDCR-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-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 N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine (CID 137010908) is N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine is COCCC1CS/C(=N\C2CCCC2(C)C)N1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
The InChIKey is UBHQZPLZWGYDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-13(2)7-4-5-11(13)15-12-14-10(9-17-12)6-8-16-3/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine?
N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137010908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).