2-benzylimino-5-ethyl-1,3-thiazolidin-4-one

C12H14N2OS — CID 137289996

IUPAC2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/Cc2ccccc2)NC1=O
InChIInChI=1S/C12H14N2OS/c1-2-10-11(15)14-12(16-10)13-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14,15)
InChIKeyNYCFQJSXOFIVJF-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.18
Rot. Bonds3

About 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one

2-benzylimino-5-ethyl-1,3-thiazolidin-4-one (PubChem CID 137289996) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
PubChem CID137289996
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/Cc2ccccc2)NC1=O
InChIInChI=1S/C12H14N2OS/c1-2-10-11(15)14-12(16-10)13-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14,15)
InChIKeyNYCFQJSXOFIVJF-UHFFFAOYSA-N
XLogP2.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzylimino-5-hexyl-1,3-thiazolidin-4-one
CID 137292329
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
(5R)-5-ethyl-2-(2-phenylpropylimino)-1,3-thiazolidin-4-one
CID 138544986
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
CID 135837036
N-benzyl-2-[2-[(4-methylphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535510
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135692269
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135692255
2-[(5R)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
CID 135692285
2-(2-benzylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 135481479
5-ethyl-2-[(Z)-2-phenylsulfanylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136871961
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-nitrophenyl)acetamide
CID 135836355
2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen
CID 143468326

Frequently Asked Questions

What is the IUPAC name of 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one (CID 137289996) is 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one is CCC1S/C(=N/Cc2ccccc2)NC1=O.
What is the InChIKey of 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one?
The InChIKey is NYCFQJSXOFIVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-10-11(15)14-12(16-10)13-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,13,14,15).
What are the key properties of 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one?
2-benzylimino-5-ethyl-1,3-thiazolidin-4-one has a molecular weight of 234.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-5-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137289996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).