(5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C18H15N3O2S — CID 135538580

IUPAC(5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC=CCOc1ccc(/C=C2\S/C(=N/c3cccnc3)NC2=O)cc1
InChIInChI=1S/C18H15N3O2S/c1-2-10-23-15-7-5-13(6-8-15)11-16-17(22)21-18(24-16)20-14-4-3-9-19-12-14/h2-9,11-12H,1,10H2,(H,20,21,22)/b16-11-
InChIKeyACUYNBKYLPUVPS-WJDWOHSUSA-N
MW337.40 g/mol
LogP3.54
Rot. Bonds5

About (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 135538580) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID135538580
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name(5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC=CCOc1ccc(/C=C2\S/C(=N/c3cccnc3)NC2=O)cc1
InChIInChI=1S/C18H15N3O2S/c1-2-10-23-15-7-5-13(6-8-15)11-16-17(22)21-18(24-16)20-14-4-3-9-19-12-14/h2-9,11-12H,1,10H2,(H,20,21,22)/b16-11-
InChIKeyACUYNBKYLPUVPS-WJDWOHSUSA-N
XLogP3.54
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 135538580) is (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is C=CCOc1ccc(/C=C2\S/C(=N/c3cccnc3)NC2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ACUYNBKYLPUVPS-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-2-10-23-15-7-5-13(6-8-15)11-16-17(22)21-18(24-16)20-14-4-3-9-19-12-14/h2-9,11-12H,1,10H2,(H,20,21,22)/b16-11-.
What are the key properties of (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135538580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).