(5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one

C15H11N3OS — CID 135460418

IUPAC(5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S/C1=C/c1cccnc1
InChIInChI=1S/C15H11N3OS/c19-14-13(9-11-5-4-8-16-10-11)20-15(18-14)17-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)/b13-9+
InChIKeyVWVWQJURZYZUEM-UKTHLTGXSA-N
MW281.34 g/mol
LogP2.97
Rot. Bonds2

About (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135460418) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135460418
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name(5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S/C1=C/c1cccnc1
InChIInChI=1S/C15H11N3OS/c19-14-13(9-11-5-4-8-16-10-11)20-15(18-14)17-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)/b13-9+
InChIKeyVWVWQJURZYZUEM-UKTHLTGXSA-N
XLogP2.97
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.97
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 (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 135460418) is (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2)S/C1=C/c1cccnc1.
What is the InChIKey of (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is VWVWQJURZYZUEM-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H11N3OS/c19-14-13(9-11-5-4-8-16-10-11)20-15(18-14)17-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)/b13-9+.
What are the key properties of (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 281.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-phenylimino-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135460418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).