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

C11H10FNO2S2 — CID 90710903

IUPAC1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
SMILESCSC1=NC(=O)CS1=Cc1cc(F)ccc1O
InChIInChI=1S/C11H10FNO2S2/c1-16-11-13-10(15)6-17(11)5-7-4-8(12)2-3-9(7)14/h2-5,14H,6H2,1H3
InChIKeyHDQRXYLQIKUEDW-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.21
Rot. Bonds1

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

1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one (PubChem CID 90710903) has the molecular formula C11H10FNO2S2 and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
PubChem CID90710903
Molecular FormulaC11H10FNO2S2
Molecular Weight271.34 g/mol
Exact Mass271.01
IUPAC Name1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one
SMILESCSC1=NC(=O)CS1=Cc1cc(F)ccc1O
InChIInChI=1S/C11H10FNO2S2/c1-16-11-13-10(15)6-17(11)5-7-4-8(12)2-3-9(7)14/h2-5,14H,6H2,1H3
InChIKeyHDQRXYLQIKUEDW-UHFFFAOYSA-N
XLogP2.21
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one?
The IUPAC name of 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one (CID 90710903) is 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one.
What is the SMILES notation for 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one?
The canonical SMILES for 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one is CSC1=NC(=O)CS1=Cc1cc(F)ccc1O.
What is the InChIKey of 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one?
The InChIKey is HDQRXYLQIKUEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S2/c1-16-11-13-10(15)6-17(11)5-7-4-8(12)2-3-9(7)14/h2-5,14H,6H2,1H3.
What are the key properties of 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one?
1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one has a molecular weight of 271.34 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one is sourced from PubChem (CID 90710903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).