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

C16H10FNOS — CID 5403197

IUPAC(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C/c1ccccc1F
InChIInChI=1S/C16H10FNOS/c17-13-9-5-4-8-12(13)10-14-15(19)18-16(20-14)11-6-2-1-3-7-11/h1-10H/b14-10+
InChIKeyNEOOBHLNVDMAHE-GXDHUFHOSA-N
MW283.33 g/mol
LogP3.89
Rot. Bonds2

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

(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (PubChem CID 5403197) has the molecular formula C16H10FNOS and a molecular weight of 283.33 g/mol. Its IUPAC name is (5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
PubChem CID5403197
Molecular FormulaC16H10FNOS
Molecular Weight283.33 g/mol
Exact Mass283.05
IUPAC Name(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C/c1ccccc1F
InChIInChI=1S/C16H10FNOS/c17-13-9-5-4-8-12(13)10-14-15(19)18-16(20-14)11-6-2-1-3-7-11/h1-10H/b14-10+
InChIKeyNEOOBHLNVDMAHE-GXDHUFHOSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of (5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (CID 5403197) is (5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for (5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for (5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)S/C1=C/c1ccccc1F.
What is the InChIKey of (5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The InChIKey is NEOOBHLNVDMAHE-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H10FNOS/c17-13-9-5-4-8-12(13)10-14-15(19)18-16(20-14)11-6-2-1-3-7-11/h1-10H/b14-10+.
What are the key properties of (5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one has a molecular weight of 283.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 5403197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).