2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one

C11H12N2O2S — CID 135449592

IUPAC2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1/N=C1\NC(=O)CS1
InChIInChI=1S/C11H12N2O2S/c1-2-15-9-6-4-3-5-8(9)12-11-13-10(14)7-16-11/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyZIHUXCKOBAODIL-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.94
Rot. Bonds3

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

2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135449592) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135449592
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1/N=C1\NC(=O)CS1
InChIInChI=1S/C11H12N2O2S/c1-2-15-9-6-4-3-5-8(9)12-11-13-10(14)7-16-11/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyZIHUXCKOBAODIL-UHFFFAOYSA-N
XLogP1.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135449592) is 2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one is CCOc1ccccc1/N=C1\NC(=O)CS1.
What is the InChIKey of 2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ZIHUXCKOBAODIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-15-9-6-4-3-5-8(9)12-11-13-10(14)7-16-11/h3-6H,2,7H2,1H3,(H,12,13,14).
What are the key properties of 2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one?
2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135449592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).