4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine

C10H19N3S — CID 137212796

IUPAC4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine
SMILESCCC1(C)CS/C(=N\C2CN(C)C2)N1
InChIInChI=1S/C10H19N3S/c1-4-10(2)7-14-9(12-10)11-8-5-13(3)6-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyRIQUUNJRJAUXQD-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.16
Rot. Bonds2

About 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine

4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine (PubChem CID 137212796) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine
PubChem CID137212796
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine
SMILESCCC1(C)CS/C(=N\C2CN(C)C2)N1
InChIInChI=1S/C10H19N3S/c1-4-10(2)7-14-9(12-10)11-8-5-13(3)6-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyRIQUUNJRJAUXQD-UHFFFAOYSA-N
XLogP1.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-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-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine (CID 137212796) is 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine is CCC1(C)CS/C(=N\C2CN(C)C2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine?
The InChIKey is RIQUUNJRJAUXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-10(2)7-14-9(12-10)11-8-5-13(3)6-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine?
4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine has a molecular weight of 213.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(1-methylazetidin-3-yl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137212796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).