5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one

C8H7NO2S — CID 115094769

IUPAC5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one
SMILESO=C1CNc2c(O)cccc2S1
InChIInChI=1S/C8H7NO2S/c10-5-2-1-3-6-8(5)9-4-7(11)12-6/h1-3,9-10H,4H2
InChIKeyJKRFTKUWUBQWFE-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.44
Rot. Bonds

About 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one

5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one (PubChem CID 115094769) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one.

Molecular Properties

Compound Name5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one
PubChem CID115094769
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one
SMILESO=C1CNc2c(O)cccc2S1
InChIInChI=1S/C8H7NO2S/c10-5-2-1-3-6-8(5)9-4-7(11)12-6/h1-3,9-10H,4H2
InChIKeyJKRFTKUWUBQWFE-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-hydroxy-3,4-dihydro-1,4-benzothiazin-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

Related Compounds

spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]-5-ol
CID 115097342
2-amino-2,3-dihydro-1,3-benzothiazol-4-ol
CID 143597083
2-methoxy-3,4-dihydroquinoxalin-5-ol
CID 130382326
5-amino-3,4-dihydrothiochromen-2-one
CID 154160776
6-hydroxy-3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115098425
CID 67541617
CID 67541617
spiro[1,2-dihydroisoindole-3,1'-cyclopropane]-4-ol
CID 115012660
6-hydroxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]-2-one
CID 115099256
2-thia-9-azabicyclo[9.4.0]pentadeca-1(15),11,13-triene-3,10-dione
CID 24977543
5-methyl-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one
CID 115094758
5-fluoro-4H-1,4-benzothiazin-3-one
CID 12899266
10H-phenothiazine-1,2-diol
CID 19596784

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one?
The IUPAC name of 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one (CID 115094769) is 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one.
What is the SMILES notation for 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one?
The canonical SMILES for 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one is O=C1CNc2c(O)cccc2S1.
What is the InChIKey of 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one?
The InChIKey is JKRFTKUWUBQWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-5-2-1-3-6-8(5)9-4-7(11)12-6/h1-3,9-10H,4H2.
What are the key properties of 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one?
5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one has a molecular weight of 181.22 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3,4-dihydro-1,4-benzothiazin-2-one is sourced from PubChem (CID 115094769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).