2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol

C9H9N3O2S — CID 135543558

IUPAC2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol
SMILESNC1=NN=C(c2cc(O)ccc2O)CS1
InChIInChI=1S/C9H9N3O2S/c10-9-12-11-7(4-15-9)6-3-5(13)1-2-8(6)14/h1-3,13-14H,4H2,(H2,10,12)
InChIKeyALPOIFJSHPSUET-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.86
Rot. Bonds1

About 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol

2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol (PubChem CID 135543558) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol
PubChem CID135543558
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol
SMILESNC1=NN=C(c2cc(O)ccc2O)CS1
InChIInChI=1S/C9H9N3O2S/c10-9-12-11-7(4-15-9)6-3-5(13)1-2-8(6)14/h1-3,13-14H,4H2,(H2,10,12)
InChIKeyALPOIFJSHPSUET-UHFFFAOYSA-N
XLogP0.86
TPSA91.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol 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 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol?
The IUPAC name of 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol (CID 135543558) is 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol?
The canonical SMILES for 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol is NC1=NN=C(c2cc(O)ccc2O)CS1.
What is the InChIKey of 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol?
The InChIKey is ALPOIFJSHPSUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c10-9-12-11-7(4-15-9)6-3-5(13)1-2-8(6)14/h1-3,13-14H,4H2,(H2,10,12).
What are the key properties of 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol?
2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol has a molecular weight of 223.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6H-1,3,4-thiadiazin-5-yl)benzene-1,4-diol is sourced from PubChem (CID 135543558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).