(5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one

C11H8FNO3S — CID 143842360

IUPAC(5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one
SMILESCOC1=NC(=O)/C(=C/c2ccc(F)cc2O)S1
InChIInChI=1S/C11H8FNO3S/c1-16-11-13-10(15)9(17-11)4-6-2-3-7(12)5-8(6)14/h2-5,14H,1H3/b9-4-
InChIKeyHFHIRHVGWFPOQC-WTKPLQERSA-N
MW253.25 g/mol
LogP2.15
Rot. Bonds1

About (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one

(5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one (PubChem CID 143842360) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one
PubChem CID143842360
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name(5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one
SMILESCOC1=NC(=O)/C(=C/c2ccc(F)cc2O)S1
InChIInChI=1S/C11H8FNO3S/c1-16-11-13-10(15)9(17-11)4-6-2-3-7(12)5-8(6)14/h2-5,14H,1H3/b9-4-
InChIKeyHFHIRHVGWFPOQC-WTKPLQERSA-N
XLogP2.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one (CID 143842360) is (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one is COC1=NC(=O)/C(=C/c2ccc(F)cc2O)S1.
What is the InChIKey of (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one?
The InChIKey is HFHIRHVGWFPOQC-WTKPLQERSA-N. The full InChI is InChI=1S/C11H8FNO3S/c1-16-11-13-10(15)9(17-11)4-6-2-3-7(12)5-8(6)14/h2-5,14H,1H3/b9-4-.
What are the key properties of (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one?
(5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one has a molecular weight of 253.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-fluoro-2-hydroxyphenyl)methylidene]-2-methoxy-1,3-thiazol-4-one is sourced from PubChem (CID 143842360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).