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

C18H17FN2O2S — CID 6978464

IUPAC(5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC
InChIInChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-9-10-15(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3/b16-11-,20-18+
InChIKeyHGKSQFRKJTUALD-FMIVOPDJSA-N
MW344.41 g/mol
LogP4.40
Rot. Bonds4

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

(5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 6978464) 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-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID6978464
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name(5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC
InChIInChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-9-10-15(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3/b16-11-,20-18+
InChIKeyHGKSQFRKJTUALD-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 6978464) is (5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is CC/N=C1/S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CC.
What is the InChIKey of (5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is HGKSQFRKJTUALD-FMIVOPDJSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-3-20-18-21(4-2)17(22)16(24-18)11-14-9-10-15(23-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3/b16-11-,20-18+.
What are the key properties of (5Z)-3-ethyl-2-ethylimino-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-2-ethylimino-5-[[5-(4-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-(4-fluorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6978464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).