2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone

C10H7FN2OS — CID 105079174

IUPAC2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1ccccc1F)c1cnns1
InChIInChI=1S/C10H7FN2OS/c11-8-4-2-1-3-7(8)5-9(14)10-6-12-13-15-10/h1-4,6H,5H2
InChIKeyMBGXYGCKQBOAFH-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.10
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone

2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone (PubChem CID 105079174) has the molecular formula C10H7FN2OS and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
PubChem CID105079174
Molecular FormulaC10H7FN2OS
Molecular Weight222.24 g/mol
Exact Mass222.03
IUPAC Name2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1ccccc1F)c1cnns1
InChIInChI=1S/C10H7FN2OS/c11-8-4-2-1-3-7(8)5-9(14)10-6-12-13-15-10/h1-4,6H,5H2
InChIKeyMBGXYGCKQBOAFH-UHFFFAOYSA-N
XLogP2.10
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone (CID 105079174) is 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone is O=C(Cc1ccccc1F)c1cnns1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The InChIKey is MBGXYGCKQBOAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS/c11-8-4-2-1-3-7(8)5-9(14)10-6-12-13-15-10/h1-4,6H,5H2.
What are the key properties of 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone?
2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone has a molecular weight of 222.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(thiadiazol-5-yl)ethanone is sourced from PubChem (CID 105079174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).