2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one

C18H17ClN2O2S — CID 135446671

IUPAC2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1
InChIInChI=1S/C18H17ClN2O2S/c1-2-23-15-9-3-12(4-10-15)11-16-17(22)21-18(24-16)20-14-7-5-13(19)6-8-14/h3-10,16H,2,11H2,1H3,(H,20,21,22)
InChIKeyCOKJUVAWPPQMNC-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.20
Rot. Bonds5

About 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135446671) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135446671
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCCOc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1
InChIInChI=1S/C18H17ClN2O2S/c1-2-23-15-9-3-12(4-10-15)11-16-17(22)21-18(24-16)20-14-7-5-13(19)6-8-14/h3-10,16H,2,11H2,1H3,(H,20,21,22)
InChIKeyCOKJUVAWPPQMNC-UHFFFAOYSA-N
XLogP4.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135707402
5-[(4-butylphenyl)methyl]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135707373
(5S)-5-[2-(4-chlorophenyl)-2-oxoethyl]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135956748
2-(4-fluorophenyl)imino-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455198
(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764088
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
2-(4-methylphenyl)imino-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135707347
(5S)-5-benzyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135760231
(5R)-2-(4-ethoxyphenyl)imino-5-phenacyl-1,3-thiazolidin-4-one
CID 135856685
(2E,5R)-5-[(4-chlorophenyl)methyl]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 135764085
(2Z,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136869245
ethyl 4-[[2-(4-butylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
CID 135501558

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 135446671) is 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one is CCOc1ccc(CC2S/C(=N\c3ccc(Cl)cc3)NC2=O)cc1.
What is the InChIKey of 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is COKJUVAWPPQMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-2-23-15-9-3-12(4-10-15)11-16-17(22)21-18(24-16)20-14-7-5-13(19)6-8-14/h3-10,16H,2,11H2,1H3,(H,20,21,22).
What are the key properties of 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 360.87 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135446671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).