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

C16H10FNOS — CID 762406

IUPAC5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)SC1=Cc1ccccc1F
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
InChIKeyNEOOBHLNVDMAHE-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.89
Rot. Bonds2

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

5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (PubChem CID 762406) has the molecular formula C16H10FNOS and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
PubChem CID762406
Molecular FormulaC16H10FNOS
Molecular Weight283.33 g/mol
Exact Mass283.05
IUPAC Name5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)SC1=Cc1ccccc1F
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
InChIKeyNEOOBHLNVDMAHE-UHFFFAOYSA-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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Related Compounds

(5Z)-2-(4-methylphenyl)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-thiazol-4(5H)-one
CID 2718951
5-(4-tert-butylbenzylidene)-2-phenylthiazol-4(5H)-one
CID 1225140
5-benzylidene-2-p-tolylthiazol-4(5H)-one
CID 5455586
2-Phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-5-one
CID 2737952
(5E)-5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 5403197
(4E)-2-phenyl-4-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-5-one
CID 5702942
2-{5-[(4-Fluorophenyl)methylene]-4-oxo-1,3-thiazolin-2-yl}ethanenitrile
CID 8010364
(5z)-5-Benzylidene-2-phenyl-1,3-thiazol-4(5h)-one
CID 749733
5-(2-chloro-6-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 1741161
(5Z)-5-(2-fluorobenzylidene)-2-phenyl-1,3-thiazol-4(5H)-one
CID 5752495
2-(4-fluorophenyl)-3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]propane-1,1,3-tricarbonitrile
CID 139233738
(5Z)-5-[(4-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
CID 164672821

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one (CID 762406) is 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)SC1=Cc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
The InChIKey is NEOOBHLNVDMAHE-UHFFFAOYSA-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.
What are the key properties of 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one?
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 5-[(2-fluorophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 762406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).