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

C10H10N2O2S — CID 135411286

IUPAC2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)11-10-12-9(13)6-15-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyCADDZOBCSQHROY-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.55
Rot. Bonds2

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

2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135411286) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135411286
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)11-10-12-9(13)6-15-10/h2-5H,6H2,1H3,(H,11,12,13)
InChIKeyCADDZOBCSQHROY-UHFFFAOYSA-N
XLogP1.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.55
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

2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135468637
2-[(Z)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172943379
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
2-[(4-methoxyphenyl)-phenylmethyl]imino-1,3-thiazolidin-4-one
CID 171986753
2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292283
(2Z)-2-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135615495
[4-[[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 135736980
[4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl] 4-methoxybenzenesulfonate
CID 135526763
2-hydroxy-5-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]benzoic acid
CID 137163252
(5E)-2-(4-methoxyphenyl)imino-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135435583
(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2110837
N-(4-methoxyphenyl)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide
CID 135441449

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135411286) is 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)CS2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is CADDZOBCSQHROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)11-10-12-9(13)6-15-10/h2-5H,6H2,1H3,(H,11,12,13).
What are the key properties of 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 222.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135411286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).