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

C11H10Cl2N2OS — CID 1364716

IUPAC2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2OS/c1-2-15-10(16)6-17-11(15)14-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3/b14-11-
InChIKeyAEWXHIXQUWDUJN-KAMYIIQDSA-N
MW289.19 g/mol
LogP3.58
Rot. Bonds2

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

2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one (PubChem CID 1364716) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one
PubChem CID1364716
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CS/C1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2OS/c1-2-15-10(16)6-17-11(15)14-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3/b14-11-
InChIKeyAEWXHIXQUWDUJN-KAMYIIQDSA-N
XLogP3.58
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.58
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-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one (CID 1364716) is 2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one is CCN1C(=O)CS/C1=N\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one?
The InChIKey is AEWXHIXQUWDUJN-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-2-15-10(16)6-17-11(15)14-7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3/b14-11-.
What are the key properties of 2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one has a molecular weight of 289.19 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)imino-3-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 1364716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).