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

C14H26N2OS — CID 137010905

IUPAC4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N/C2CCCCCC2C)N1
InChIInChI=1S/C14H26N2OS/c1-11-6-4-3-5-7-13(11)16-14-15-12(10-18-14)8-9-17-2/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyTZMGQEQROLWGKZ-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds4

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

4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine (PubChem CID 137010905) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine
PubChem CID137010905
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N/C2CCCCCC2C)N1
InChIInChI=1S/C14H26N2OS/c1-11-6-4-3-5-7-13(11)16-14-15-12(10-18-14)8-9-17-2/h11-13H,3-10H2,1-2H3,(H,15,16)
InChIKeyTZMGQEQROLWGKZ-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-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-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine (CID 137010905) is 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine is COCCC1CS/C(=N/C2CCCCCC2C)N1.
What is the InChIKey of 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine?
The InChIKey is TZMGQEQROLWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11-6-4-3-5-7-13(11)16-14-15-12(10-18-14)8-9-17-2/h11-13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine?
4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137010905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).