2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one

C11H11ClN2OS — CID 1377865

IUPAC2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N/c1ccccc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-2-14-10(15)7-16-11(14)13-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3/b13-11+
InChIKeyQEBYIBXMOIEAAM-ACCUITESSA-N
MW254.74 g/mol
LogP2.92
Rot. Bonds2

About 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one

2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one (PubChem CID 1377865) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one
PubChem CID1377865
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N/c1ccccc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-2-14-10(15)7-16-11(14)13-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3/b13-11+
InChIKeyQEBYIBXMOIEAAM-ACCUITESSA-N
XLogP2.92
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one (CID 1377865) is 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one is CCN1C(=O)CS/C1=N/c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one?
The InChIKey is QEBYIBXMOIEAAM-ACCUITESSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-14-10(15)7-16-11(14)13-9-6-4-3-5-8(9)12/h3-6H,2,7H2,1H3/b13-11+.
What are the key properties of 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one has a molecular weight of 254.74 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1377865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).