4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine

C13H18N2S — CID 135465266

IUPAC4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCc2ccccc2)N1
InChIInChI=1S/C13H18N2S/c1-13(2)10-16-12(15-13)14-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15)
InChIKeyOOLZKKKTNMCSAF-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.70
Rot. Bonds3

About 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine

4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine (PubChem CID 135465266) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine
PubChem CID135465266
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CCc2ccccc2)N1
InChIInChI=1S/C13H18N2S/c1-13(2)10-16-12(15-13)14-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15)
InChIKeyOOLZKKKTNMCSAF-UHFFFAOYSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4-dimethyl-N-(2-phenylethyl)-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 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine (CID 135465266) is 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\CCc2ccccc2)N1.
What is the InChIKey of 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine?
The InChIKey is OOLZKKKTNMCSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-13(2)10-16-12(15-13)14-9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15).
What are the key properties of 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine has a molecular weight of 234.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-phenylethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135465266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).