2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one

C10H9IN2OS — CID 15993782

IUPAC2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccc(I)cc1C
InChIInChI=1S/C10H9IN2OS/c1-6-4-7(11)2-3-8(6)13-9(14)5-15-10(13)12/h2-4,12H,5H2,1H3/b12-10-
InChIKeySSOHSNJGBCHEGK-BENRWUELSA-N
MW332.17 g/mol
LogP2.61
Rot. Bonds1

About 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one

2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 15993782) has the molecular formula C10H9IN2OS and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID15993782
Molecular FormulaC10H9IN2OS
Molecular Weight332.17 g/mol
Exact Mass331.95
IUPAC Name2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1ccc(I)cc1C
InChIInChI=1S/C10H9IN2OS/c1-6-4-7(11)2-3-8(6)13-9(14)5-15-10(13)12/h2-4,12H,5H2,1H3/b12-10-
InChIKeySSOHSNJGBCHEGK-BENRWUELSA-N
XLogP2.61
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one 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 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one (CID 15993782) is 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1ccc(I)cc1C.
What is the InChIKey of 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is SSOHSNJGBCHEGK-BENRWUELSA-N. The full InChI is InChI=1S/C10H9IN2OS/c1-6-4-7(11)2-3-8(6)13-9(14)5-15-10(13)12/h2-4,12H,5H2,1H3/b12-10-.
What are the key properties of 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one?
2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 332.17 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-(4-iodo-2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 15993782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).