2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

C11H10N2O2S — CID 171128369

IUPAC2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2cccc(OC)c2)S1
InChIInChI=1S/C11H10N2O2S/c1-15-8-4-2-3-7(5-8)6-9-10(14)13-11(12)16-9/h2-6H,1H3,(H2,12,13,14)
InChIKeyRCYJWMUYBFSIFL-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.83
Rot. Bonds2

About 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one

2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 171128369) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID171128369
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2cccc(OC)c2)S1
InChIInChI=1S/C11H10N2O2S/c1-15-8-4-2-3-7(5-8)6-9-10(14)13-11(12)16-9/h2-6H,1H3,(H2,12,13,14)
InChIKeyRCYJWMUYBFSIFL-UHFFFAOYSA-N
XLogP1.83
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
5-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 171128924
2-imino-5-[[5-(3-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 173014269
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154804392
2-imino-5-[[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128907
[3-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate
CID 171128489
2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128786
(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 154792233
(5E)-2-imino-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 138376602
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 140632499
2-[3-[(Z)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 138388037
(5Z)-2-imino-5-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 154777666

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 171128369) is 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2cccc(OC)c2)S1.
What is the InChIKey of 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is RCYJWMUYBFSIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-8-4-2-3-7(5-8)6-9-10(14)13-11(12)16-9/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 171128369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).