3-iodo-N-methyl-1,3-thiazolidin-2-imine

C4H7IN2S — CID 166728323

IUPAC3-iodo-N-methyl-1,3-thiazolidin-2-imine
SMILESC/N=C1\SCCN1I
InChIInChI=1S/C4H7IN2S/c1-6-4-7(5)2-3-8-4/h2-3H2,1H3/b6-4-
InChIKeyMHQCCFWNUNYLKK-XQRVVYSFSA-N
MW242.08 g/mol
LogP1.37
Rot. Bonds

About 3-iodo-N-methyl-1,3-thiazolidin-2-imine

3-iodo-N-methyl-1,3-thiazolidin-2-imine (PubChem CID 166728323) has the molecular formula C4H7IN2S and a molecular weight of 242.08 g/mol. Its IUPAC name is 3-iodo-N-methyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-iodo-N-methyl-1,3-thiazolidin-2-imine
PubChem CID166728323
Molecular FormulaC4H7IN2S
Molecular Weight242.08 g/mol
Exact Mass241.94
IUPAC Name3-iodo-N-methyl-1,3-thiazolidin-2-imine
SMILESC/N=C1\SCCN1I
InChIInChI=1S/C4H7IN2S/c1-6-4-7(5)2-3-8-4/h2-3H2,1H3/b6-4-
InChIKeyMHQCCFWNUNYLKK-XQRVVYSFSA-N
XLogP1.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-iodo-N-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 3-iodo-N-methyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-iodo-N-methyl-1,3-thiazolidin-2-imine (CID 166728323) is 3-iodo-N-methyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-iodo-N-methyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-iodo-N-methyl-1,3-thiazolidin-2-imine is C/N=C1\SCCN1I.
What is the InChIKey of 3-iodo-N-methyl-1,3-thiazolidin-2-imine?
The InChIKey is MHQCCFWNUNYLKK-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H7IN2S/c1-6-4-7(5)2-3-8-4/h2-3H2,1H3/b6-4-.
What are the key properties of 3-iodo-N-methyl-1,3-thiazolidin-2-imine?
3-iodo-N-methyl-1,3-thiazolidin-2-imine has a molecular weight of 242.08 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-methyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 166728323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).