6-ethyl-1,3-benzothiazol-4-ol

C9H9NOS — CID 69480901

IUPAC6-ethyl-1,3-benzothiazol-4-ol
SMILESCCc1cc(O)c2ncsc2c1
InChIInChI=1S/C9H9NOS/c1-2-6-3-7(11)9-8(4-6)12-5-10-9/h3-5,11H,2H2,1H3
InChIKeyJVSFWNNOHAOYHG-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.56
Rot. Bonds1

About 6-ethyl-1,3-benzothiazol-4-ol

6-ethyl-1,3-benzothiazol-4-ol (PubChem CID 69480901) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 6-ethyl-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name6-ethyl-1,3-benzothiazol-4-ol
PubChem CID69480901
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name6-ethyl-1,3-benzothiazol-4-ol
SMILESCCc1cc(O)c2ncsc2c1
InChIInChI=1S/C9H9NOS/c1-2-6-3-7(11)9-8(4-6)12-5-10-9/h3-5,11H,2H2,1H3
InChIKeyJVSFWNNOHAOYHG-UHFFFAOYSA-N
XLogP2.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-benzothiazol-4-ol?
The IUPAC name of 6-ethyl-1,3-benzothiazol-4-ol (CID 69480901) is 6-ethyl-1,3-benzothiazol-4-ol.
What is the SMILES notation for 6-ethyl-1,3-benzothiazol-4-ol?
The canonical SMILES for 6-ethyl-1,3-benzothiazol-4-ol is CCc1cc(O)c2ncsc2c1.
What is the InChIKey of 6-ethyl-1,3-benzothiazol-4-ol?
The InChIKey is JVSFWNNOHAOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-2-6-3-7(11)9-8(4-6)12-5-10-9/h3-5,11H,2H2,1H3.
What are the key properties of 6-ethyl-1,3-benzothiazol-4-ol?
6-ethyl-1,3-benzothiazol-4-ol has a molecular weight of 179.24 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-benzothiazol-4-ol is sourced from PubChem (CID 69480901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).