1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone

C9H7NO2S — CID 25101509

IUPAC1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone
SMILESCC(=O)c1ccc2ncsc2c1O
InChIInChI=1S/C9H7NO2S/c1-5(11)6-2-3-7-9(8(6)12)13-4-10-7/h2-4,12H,1H3
InChIKeyFIPALJCOAWMCIY-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.20
Rot. Bonds1

About 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone

1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone (PubChem CID 25101509) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone
PubChem CID25101509
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone
SMILESCC(=O)c1ccc2ncsc2c1O
InChIInChI=1S/C9H7NO2S/c1-5(11)6-2-3-7-9(8(6)12)13-4-10-7/h2-4,12H,1H3
InChIKeyFIPALJCOAWMCIY-UHFFFAOYSA-N
XLogP2.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone?
The IUPAC name of 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone (CID 25101509) is 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone.
What is the SMILES notation for 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone?
The canonical SMILES for 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone is CC(=O)c1ccc2ncsc2c1O.
What is the InChIKey of 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone?
The InChIKey is FIPALJCOAWMCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-5(11)6-2-3-7-9(8(6)12)13-4-10-7/h2-4,12H,1H3.
What are the key properties of 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone?
1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone has a molecular weight of 193.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-1,3-benzothiazol-6-yl)ethanone is sourced from PubChem (CID 25101509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).