(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C16H15N3O2S — CID 18842274

IUPAC(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1cccnc1
InChIInChI=1S/C16H15N3O2S/c1-3-19-15(20)14(9-13-7-6-11(2)21-13)22-16(19)18-12-5-4-8-17-10-12/h4-10H,3H2,1-2H3/b14-9+,18-16+
InChIKeyJAJUXPSLNHEDFE-QNVRJZFTSA-N
MW313.38 g/mol
LogP3.61
Rot. Bonds3

About (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842274) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842274
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1cccnc1
InChIInChI=1S/C16H15N3O2S/c1-3-19-15(20)14(9-13-7-6-11(2)21-13)22-16(19)18-12-5-4-8-17-10-12/h4-10H,3H2,1-2H3/b14-9+,18-16+
InChIKeyJAJUXPSLNHEDFE-QNVRJZFTSA-N
XLogP3.61
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842264
3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1233204
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842290
(5Z)-5-[(4-chlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842288
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842279
(2E,5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-[(4-phenyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 18845344
3-[[(5Z)-3-ethyl-4-oxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 18846366
(5E)-2-[(3-chloro-4-pyridinyl)imino]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidin-4-one
CID 18843875
2-[5-[(E)-[4-oxo-2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126171537
5-[(5-methylfuran-2-yl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4692283
(5E)-5-[[5-(5-chloro-2-methylphenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 126242644
(5E)-3-butyl-2-butylimino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 6137227

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842274) is (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1cccnc1.
What is the InChIKey of (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is JAJUXPSLNHEDFE-QNVRJZFTSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-3-19-15(20)14(9-13-7-6-11(2)21-13)22-16(19)18-12-5-4-8-17-10-12/h4-10H,3H2,1-2H3/b14-9+,18-16+.
What are the key properties of (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 313.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-5-[(5-methylfuran-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).