1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone

C11H11NO2S — CID 90208675

IUPAC1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone
SMILESCCc1cc2ncsc2c(O)c1C(C)=O
InChIInChI=1S/C11H11NO2S/c1-3-7-4-8-11(15-5-12-8)10(14)9(7)6(2)13/h4-5,14H,3H2,1-2H3
InChIKeyXFMRPTQEQYBQTJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.77
Rot. Bonds2

About 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone

1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone (PubChem CID 90208675) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone
PubChem CID90208675
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone
SMILESCCc1cc2ncsc2c(O)c1C(C)=O
InChIInChI=1S/C11H11NO2S/c1-3-7-4-8-11(15-5-12-8)10(14)9(7)6(2)13/h4-5,14H,3H2,1-2H3
InChIKeyXFMRPTQEQYBQTJ-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone?
The IUPAC name of 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone (CID 90208675) is 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone is CCc1cc2ncsc2c(O)c1C(C)=O.
What is the InChIKey of 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone?
The InChIKey is XFMRPTQEQYBQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-3-7-4-8-11(15-5-12-8)10(14)9(7)6(2)13/h4-5,14H,3H2,1-2H3.
What are the key properties of 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone?
1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone has a molecular weight of 221.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-7-hydroxy-1,3-benzothiazol-6-yl)ethanone is sourced from PubChem (CID 90208675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).