2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one

C11H11ClN2OS — CID 135414364

IUPAC2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C11H11ClN2OS/c1-2-9-10(15)14-11(16-9)13-8-6-4-3-5-7(8)12/h3-6,9H,2H2,1H3,(H,13,14,15)
InChIKeyGUBZNFIBCFUHPQ-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.97
Rot. Bonds2

About 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one

2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one (PubChem CID 135414364) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one
PubChem CID135414364
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C11H11ClN2OS/c1-2-9-10(15)14-11(16-9)13-8-6-4-3-5-7(8)12/h3-6,9H,2H2,1H3,(H,13,14,15)
InChIKeyGUBZNFIBCFUHPQ-UHFFFAOYSA-N
XLogP2.97
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
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-5-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one (CID 135414364) is 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one is CCC1S/C(=N/c2ccccc2Cl)NC1=O.
What is the InChIKey of 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one?
The InChIKey is GUBZNFIBCFUHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-9-10(15)14-11(16-9)13-8-6-4-3-5-7(8)12/h3-6,9H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one?
2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one has a molecular weight of 254.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)imino-5-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135414364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).