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

C19H12FN3O2S2 — CID 137036039

IUPAC(5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccccn2)o1
InChIInChI=1S/C19H12FN3O2S2/c20-12-4-6-13(7-5-12)22-19-23-18(24)15(26-19)11-14-8-9-17(25-14)27-16-3-1-2-10-21-16/h1-11H,(H,22,23,24)/b15-11-
InChIKeyOKTXUBXTXHDLNU-PTNGSMBKSA-N
MW397.46 g/mol
LogP4.86
Rot. Bonds4

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

(5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137036039) has the molecular formula C19H12FN3O2S2 and a molecular weight of 397.46 g/mol. Its IUPAC name is (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137036039
Molecular FormulaC19H12FN3O2S2
Molecular Weight397.46 g/mol
Exact Mass397.04
IUPAC Name(5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccccn2)o1
InChIInChI=1S/C19H12FN3O2S2/c20-12-4-6-13(7-5-12)22-19-23-18(24)15(26-19)11-14-8-9-17(25-14)27-16-3-1-2-10-21-16/h1-11H,(H,22,23,24)/b15-11-
InChIKeyOKTXUBXTXHDLNU-PTNGSMBKSA-N
XLogP4.86
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 7285259
3-fluoro-N'-{[5-(2-pyridinylsulfanyl)-2-furyl]methylene}benzohydrazide
CID 5400938
N-(4-fluorophenyl)-6-[[5-(trifluoromethyl)furan-2-yl]methylsulfanyl]pyridine-3-carboxamide
CID 46896587
(5Z)-3-propan-2-yl-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 121395562
3-fluoro-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 753837
4-methoxy-N-{(E)-[5-(pyridin-2-ylsulfanyl)furan-2-yl]methylidene}aniline
CID 684146
N-[(1E)-2-(5-(2-pyridylthio)(2-furyl))-1-azavinyl](4-fluorophenyl)carboxamide
CID 9659100
4-fluoro-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 4357148
4-fluoro-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 6078633
(5Z)-2-(4-fluorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137035920
(5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 159123971
3-Propan-2-yl-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 173637130

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 137036039) is (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccccn2)o1.
What is the InChIKey of (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is OKTXUBXTXHDLNU-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H12FN3O2S2/c20-12-4-6-13(7-5-12)22-19-23-18(24)15(26-19)11-14-8-9-17(25-14)27-16-3-1-2-10-21-16/h1-11H,(H,22,23,24)/b15-11-.
What are the key properties of (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 397.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-fluorophenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137036039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).