1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone

C13H11FN2O2S — CID 60974014

IUPAC1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
SMILESCc1cnc(SCC(=O)c2cc(F)ccc2O)nc1
InChIInChI=1S/C13H11FN2O2S/c1-8-5-15-13(16-6-8)19-7-12(18)10-4-9(14)2-3-11(10)17/h2-6,17H,7H2,1H3
InChIKeyRIEBQURHSYGGHV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone

1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone (PubChem CID 60974014) has the molecular formula C13H11FN2O2S and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
PubChem CID60974014
Molecular FormulaC13H11FN2O2S
Molecular Weight278.31 g/mol
Exact Mass278.05
IUPAC Name1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone
SMILESCc1cnc(SCC(=O)c2cc(F)ccc2O)nc1
InChIInChI=1S/C13H11FN2O2S/c1-8-5-15-13(16-6-8)19-7-12(18)10-4-9(14)2-3-11(10)17/h2-6,17H,7H2,1H3
InChIKeyRIEBQURHSYGGHV-UHFFFAOYSA-N
XLogP2.60
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The IUPAC name of 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone (CID 60974014) is 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone is Cc1cnc(SCC(=O)c2cc(F)ccc2O)nc1.
What is the InChIKey of 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
The InChIKey is RIEBQURHSYGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2S/c1-8-5-15-13(16-6-8)19-7-12(18)10-4-9(14)2-3-11(10)17/h2-6,17H,7H2,1H3.
What are the key properties of 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone?
1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone has a molecular weight of 278.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanone is sourced from PubChem (CID 60974014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).