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

C14H15FN2OS — CID 2143059

IUPAC(5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(F)cc2)C(=O)N1CC
InChIInChI=1S/C14H15FN2OS/c1-3-16-14-17(4-2)13(18)12(19-14)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3/b12-9-,16-14+
InChIKeyDIKUJUZSYCVGBC-GWYNYPBQSA-N
MW278.35 g/mol
LogP3.14
Rot. Bonds3

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

(5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 2143059) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is (5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID2143059
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name(5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(F)cc2)C(=O)N1CC
InChIInChI=1S/C14H15FN2OS/c1-3-16-14-17(4-2)13(18)12(19-14)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3/b12-9-,16-14+
InChIKeyDIKUJUZSYCVGBC-GWYNYPBQSA-N
XLogP3.14
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 2143059) is (5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is CC/N=C1/S/C(=C\c2ccc(F)cc2)C(=O)N1CC.
What is the InChIKey of (5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DIKUJUZSYCVGBC-GWYNYPBQSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-3-16-14-17(4-2)13(18)12(19-14)9-10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3/b12-9-,16-14+.
What are the key properties of (5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 278.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-2-ethylimino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2143059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).