2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone

C12H11FN2O2S — CID 105086010

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCOc1ccc(CC(=O)c2snnc2C)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-7-12(18-15-14-7)10(16)6-8-3-4-11(17-2)9(13)5-8/h3-5H,6H2,1-2H3
InChIKeyULLXYPYZDTWBRT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.42
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone

2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone (PubChem CID 105086010) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
PubChem CID105086010
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCOc1ccc(CC(=O)c2snnc2C)cc1F
InChIInChI=1S/C12H11FN2O2S/c1-7-12(18-15-14-7)10(16)6-8-3-4-11(17-2)9(13)5-8/h3-5H,6H2,1-2H3
InChIKeyULLXYPYZDTWBRT-UHFFFAOYSA-N
XLogP2.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone (CID 105086010) is 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone is COc1ccc(CC(=O)c2snnc2C)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
The InChIKey is ULLXYPYZDTWBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-7-12(18-15-14-7)10(16)6-8-3-4-11(17-2)9(13)5-8/h3-5H,6H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone?
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105086010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).