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

C15H10FN3OS — CID 135506644

IUPAC(5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccnc2)S/C1=C\c1cccc(F)c1
InChIInChI=1S/C15H10FN3OS/c16-11-4-1-3-10(7-11)8-13-14(20)19-15(21-13)18-12-5-2-6-17-9-12/h1-9H,(H,18,19,20)/b13-8-
InChIKeyALBKHQUDALGCBR-JYRVWZFOSA-N
MW299.33 g/mol
LogP3.11
Rot. Bonds2

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

(5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 135506644) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID135506644
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name(5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2cccnc2)S/C1=C\c1cccc(F)c1
InChIInChI=1S/C15H10FN3OS/c16-11-4-1-3-10(7-11)8-13-14(20)19-15(21-13)18-12-5-2-6-17-9-12/h1-9H,(H,18,19,20)/b13-8-
InChIKeyALBKHQUDALGCBR-JYRVWZFOSA-N
XLogP3.11
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 135506644) is (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2cccnc2)S/C1=C\c1cccc(F)c1.
What is the InChIKey of (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is ALBKHQUDALGCBR-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-11-4-1-3-10(7-11)8-13-14(20)19-15(21-13)18-12-5-2-6-17-9-12/h1-9H,(H,18,19,20)/b13-8-.
What are the key properties of (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 299.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135506644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).