2,1,3-benzothiadiazol-5-ol

C6H4N2OS — CID 2771886

IUPAC2,1,3-benzothiadiazol-5-ol
SMILESOc1ccc2nsnc2c1
InChIInChI=1S/C6H4N2OS/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H
InChIKeyYEAIESZWIBYJPL-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.40
Rot. Bonds

About 2,1,3-benzothiadiazol-5-ol

2,1,3-benzothiadiazol-5-ol (PubChem CID 2771886) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-ol.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-5-ol
PubChem CID2771886
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name2,1,3-benzothiadiazol-5-ol
SMILESOc1ccc2nsnc2c1
InChIInChI=1S/C6H4N2OS/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H
InChIKeyYEAIESZWIBYJPL-UHFFFAOYSA-N
XLogP1.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-ol?
The IUPAC name of 2,1,3-benzothiadiazol-5-ol (CID 2771886) is 2,1,3-benzothiadiazol-5-ol.
What is the SMILES notation for 2,1,3-benzothiadiazol-5-ol?
The canonical SMILES for 2,1,3-benzothiadiazol-5-ol is Oc1ccc2nsnc2c1.
What is the InChIKey of 2,1,3-benzothiadiazol-5-ol?
The InChIKey is YEAIESZWIBYJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H.
What are the key properties of 2,1,3-benzothiadiazol-5-ol?
2,1,3-benzothiadiazol-5-ol has a molecular weight of 152.18 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-5-ol is sourced from PubChem (CID 2771886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).