(5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

C14H13FN2O2S — CID 684869

IUPAC(5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c15-11-3-1-10(2-4-11)9-12-13(18)16-14(20-12)17-5-7-19-8-6-17/h1-4,9H,5-8H2/b12-9+
InChIKeyYKDGWILAGCSIRT-FMIVXFBMSA-N
MW292.33 g/mol
LogP2.13
Rot. Bonds1

About (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one

(5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (PubChem CID 684869) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
PubChem CID684869
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name(5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
SMILESO=C1N=C(N2CCOCC2)S/C1=C/c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c15-11-3-1-10(2-4-11)9-12-13(18)16-14(20-12)17-5-7-19-8-6-17/h1-4,9H,5-8H2/b12-9+
InChIKeyYKDGWILAGCSIRT-FMIVXFBMSA-N
XLogP2.13
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one (CID 684869) is (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(F)cc1.
What is the InChIKey of (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
The InChIKey is YKDGWILAGCSIRT-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-11-3-1-10(2-4-11)9-12-13(18)16-14(20-12)17-5-7-19-8-6-17/h1-4,9H,5-8H2/b12-9+.
What are the key properties of (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one?
(5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one has a molecular weight of 292.33 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-fluorophenyl)methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one is sourced from PubChem (CID 684869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).