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

C11H12N2OS — CID 135468637

IUPAC2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C11H12N2OS/c1-2-8-3-5-9(6-4-8)12-11-13-10(14)7-15-11/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyJKRDDHFKLXVHGF-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.10
Rot. Bonds2

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

2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135468637) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135468637
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCCc1ccc(/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C11H12N2OS/c1-2-8-3-5-9(6-4-8)12-11-13-10(14)7-15-11/h3-6H,2,7H2,1H3,(H,12,13,14)
InChIKeyJKRDDHFKLXVHGF-UHFFFAOYSA-N
XLogP2.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.10
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-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574383
2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574049
2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
CID 137163252
(5Z)-2-(4-ethylphenyl)imino-5-[(2-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135522809
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
5-[(4-ethylphenyl)methylidene]-2-(4-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 135473662
5-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135707402
2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135490047
(5Z)-2-(4-ethylphenyl)imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135628694
(5Z)-5-[(4-ethylphenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135563198

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one (CID 135468637) is 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one is CCc1ccc(/N=C2/NC(=O)CS2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is JKRDDHFKLXVHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-8-3-5-9(6-4-8)12-11-13-10(14)7-15-11/h3-6H,2,7H2,1H3,(H,12,13,14).
What are the key properties of 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one?
2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 220.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135468637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).