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

C18H15FN2O2S — CID 27408807

IUPAC(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1cccc(O)c1
InChIInChI=1S/C18H15FN2O2S/c1-2-21-17(23)16(10-12-6-8-13(19)9-7-12)24-18(21)20-14-4-3-5-15(22)11-14/h3-11,22H,2H2,1H3/b16-10-,20-18+
InChIKeyIEDSZCVNLGGNNO-NIQTYAIASA-N
MW342.40 g/mol
LogP4.16
Rot. Bonds3

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

(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 27408807) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID27408807
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1cccc(O)c1
InChIInChI=1S/C18H15FN2O2S/c1-2-21-17(23)16(10-12-6-8-13(19)9-7-12)24-18(21)20-14-4-3-5-15(22)11-14/h3-11,22H,2H2,1H3/b16-10-,20-18+
InChIKeyIEDSZCVNLGGNNO-NIQTYAIASA-N
XLogP4.16
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one (CID 27408807) is (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1cccc(O)c1.
What is the InChIKey of (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is IEDSZCVNLGGNNO-NIQTYAIASA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-2-21-17(23)16(10-12-6-8-13(19)9-7-12)24-18(21)20-14-4-3-5-15(22)11-14/h3-11,22H,2H2,1H3/b16-10-,20-18+.
What are the key properties of (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 27408807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).