1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone

C11H10Cl2N2OS — CID 2799691

IUPAC1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone
SMILES[H]/N=C1\SCCN1CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2OS/c12-8-2-1-7(5-9(8)13)10(16)6-15-3-4-17-11(15)14/h1-2,5,14H,3-4,6H2/b14-11-
InChIKeyNBDLIMHFDSQMRW-KAMYIIQDSA-N
MW289.19 g/mol
LogP3.16
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone

1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone (PubChem CID 2799691) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone
PubChem CID2799691
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone
SMILES[H]/N=C1\SCCN1CC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2OS/c12-8-2-1-7(5-9(8)13)10(16)6-15-3-4-17-11(15)14/h1-2,5,14H,3-4,6H2/b14-11-
InChIKeyNBDLIMHFDSQMRW-KAMYIIQDSA-N
XLogP3.16
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone 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 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone (CID 2799691) is 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone is [H]/N=C1\SCCN1CC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is NBDLIMHFDSQMRW-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c12-8-2-1-7(5-9(8)13)10(16)6-15-3-4-17-11(15)14/h1-2,5,14H,3-4,6H2/b14-11-.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone?
1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 289.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(2-imino-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 2799691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).