5-hydroxy-3H-1,3-benzothiazol-2-one

C7H5NO2S — CID 14031345

IUPAC5-hydroxy-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2cc(O)ccc2s1
InChIInChI=1S/C7H5NO2S/c9-4-1-2-6-5(3-4)8-7(10)11-6/h1-3,9H,(H,8,10)
InChIKeyDGUTYSVRJFTBEW-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.30
Rot. Bonds

About 5-hydroxy-3H-1,3-benzothiazol-2-one

5-hydroxy-3H-1,3-benzothiazol-2-one (PubChem CID 14031345) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-hydroxy-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3H-1,3-benzothiazol-2-one
PubChem CID14031345
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name5-hydroxy-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2cc(O)ccc2s1
InChIInChI=1S/C7H5NO2S/c9-4-1-2-6-5(3-4)8-7(10)11-6/h1-3,9H,(H,8,10)
InChIKeyDGUTYSVRJFTBEW-UHFFFAOYSA-N
XLogP1.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-hydroxy-3H-1,3-benzothiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3H-1,3-benzothiazol-2-one?
The IUPAC name of 5-hydroxy-3H-1,3-benzothiazol-2-one (CID 14031345) is 5-hydroxy-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 5-hydroxy-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 5-hydroxy-3H-1,3-benzothiazol-2-one is O=c1[nH]c2cc(O)ccc2s1.
What is the InChIKey of 5-hydroxy-3H-1,3-benzothiazol-2-one?
The InChIKey is DGUTYSVRJFTBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-4-1-2-6-5(3-4)8-7(10)11-6/h1-3,9H,(H,8,10).
What are the key properties of 5-hydroxy-3H-1,3-benzothiazol-2-one?
5-hydroxy-3H-1,3-benzothiazol-2-one has a molecular weight of 167.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 14031345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).