(5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C19H17FN2O2S — CID 135797648

IUPAC(5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN2O2S/c20-13-7-5-12(6-8-13)16-10-9-15(24-16)11-17-18(23)22-19(25-17)21-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,22,23)/b17-11+
InChIKeyUWNUEIRWIMQLNF-GZTJUZNOSA-N
MW356.42 g/mol
LogP4.59
Rot. Bonds3

About (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

(5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135797648) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135797648
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name(5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H17FN2O2S/c20-13-7-5-12(6-8-13)16-10-9-15(24-16)11-17-18(23)22-19(25-17)21-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,22,23)/b17-11+
InChIKeyUWNUEIRWIMQLNF-GZTJUZNOSA-N
XLogP4.59
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.59
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

5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2844288
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354400
2-cyclohexylimino-5-[[5-(methoxymethyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136515422
4-[5-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile
CID 137150798
2-chloro-5-[5-[(Z)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 137034456
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135512915
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(2-bromophenyl)imino-1,3-thiazolidin-4-one
CID 135487171
5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135487160
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 21208578
(5Z)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135444055
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
5-[[5-(4-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86222599

Frequently Asked Questions

What is the IUPAC name of (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 135797648) is (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is UWNUEIRWIMQLNF-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-13-7-5-12(6-8-13)16-10-9-15(24-16)11-17-18(23)22-19(25-17)21-14-3-1-2-4-14/h5-11,14H,1-4H2,(H,21,22,23)/b17-11+.
What are the key properties of (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 356.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-cyclopentylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135797648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).