(5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C18H17FN2O2S — CID 126024709

IUPAC(5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1CC
InChIInChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-8-9-15(23-14)12-6-5-7-13(19)10-12/h5-11H,3-4H2,1-2H3/b16-11-,20-18+
InChIKeyXOHGQFYNNCBBSJ-FMIVOPDJSA-N
MW344.41 g/mol
LogP4.40
Rot. Bonds4

About (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

(5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 126024709) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID126024709
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name(5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1CC
InChIInChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-8-9-15(23-14)12-6-5-7-13(19)10-12/h5-11H,3-4H2,1-2H3/b16-11-,20-18+
InChIKeyXOHGQFYNNCBBSJ-FMIVOPDJSA-N
XLogP4.40
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
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-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 4515459
(5E)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-3-ethyl-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 126227013
5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 6738067
(5E)-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 39835386
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 2185982
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5Z)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 21207022
3-[5-[(E)-[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 6310826
(2E,5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-2-[(6-methyl-2-pyridinyl)imino]-1,3-thiazolidin-4-one
CID 18842778
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126252261
(5E)-3-ethyl-2-ethylimino-5-[[1-[(3-fluorophenyl)methyl]indol-5-yl]methylidene]-1,3-thiazolidin-4-one
CID 126234991
3-[[(5E)-3-ethyl-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6208703

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 126024709) is (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is CC/N=C1/S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1CC.
What is the InChIKey of (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XOHGQFYNNCBBSJ-FMIVOPDJSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-8-9-15(23-14)12-6-5-7-13(19)10-12/h5-11H,3-4H2,1-2H3/b16-11-,20-18+.
What are the key properties of (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 344.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-2-ethylimino-5-[[5-(3-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 126024709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).