(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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Related Compounds

Rhodanine, 5-(4-pyridylmethylene)-
CID 1381461
(Z)-2-morpholino-5-(pyridin-3-ylmethylene)thiazol-4(5H)-one
CID 722605
(Z)-5-(pyridin-2-ylmethylene)thiazolidine-2,4-dione
CID 1204987
(Z)-3-phenethyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
CID 2241090
3-Phenyl-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731886
6-Methyl-2-(3-pyridinyl)-4-pyrimidinol
CID 135439676
ROCHE screening, 64
CID 135475857
(7Z)-3-(3-methylphenyl)-7-(pyridin-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1806528
(2E,5Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(p-tolylimino)thiazolidin-4-one
CID 135444306
(5Z)-2-(2-methylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 135535982
(2E,5Z)-2-((2,4-dimethylphenyl)imino)-5-((1-methyl-1H-pyrrol-2-yl)methylene)thiazolidin-4-one
CID 135628212
5-[(Z)-4-pyridinylmethylidene]-1,3-thiazolane-2,4-dione
CID 1398761

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).