1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone

C9H6FNOS — CID 23285444

IUPAC1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(F)cc2s1
InChIInChI=1S/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3
InChIKeyGUNCTJJQHILPGA-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.64
Rot. Bonds1

About 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone

1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone (PubChem CID 23285444) has the molecular formula C9H6FNOS and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone
PubChem CID23285444
Molecular FormulaC9H6FNOS
Molecular Weight195.22 g/mol
Exact Mass195.02
IUPAC Name1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone
SMILESCC(=O)c1nc2ccc(F)cc2s1
InChIInChI=1S/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3
InChIKeyGUNCTJJQHILPGA-UHFFFAOYSA-N
XLogP2.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone?
The IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone (CID 23285444) is 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone.
What is the SMILES notation for 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone?
The canonical SMILES for 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone is CC(=O)c1nc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone?
The InChIKey is GUNCTJJQHILPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNOS/c1-5(12)9-11-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3.
What are the key properties of 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone?
1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone has a molecular weight of 195.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanone is sourced from PubChem (CID 23285444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).