1,2,3-benzothiadiazole-5-carboxamide

C7H5N3OS — CID 20680261

IUPAC1,2,3-benzothiadiazole-5-carboxamide
SMILESNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C7H5N3OS/c8-7(11)4-1-2-6-5(3-4)9-10-12-6/h1-3H,(H2,8,11)
InChIKeyIZUCOAVBJNKLJV-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.79
Rot. Bonds1

About 1,2,3-benzothiadiazole-5-carboxamide

1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 20680261) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is 1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound Name1,2,3-benzothiadiazole-5-carboxamide
PubChem CID20680261
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name1,2,3-benzothiadiazole-5-carboxamide
SMILESNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C7H5N3OS/c8-7(11)4-1-2-6-5(3-4)9-10-12-6/h1-3H,(H2,8,11)
InChIKeyIZUCOAVBJNKLJV-UHFFFAOYSA-N
XLogP0.79
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of 1,2,3-benzothiadiazole-5-carboxamide (CID 20680261) is 1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for 1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for 1,2,3-benzothiadiazole-5-carboxamide is NC(=O)c1ccc2snnc2c1.
What is the InChIKey of 1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is IZUCOAVBJNKLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS/c8-7(11)4-1-2-6-5(3-4)9-10-12-6/h1-3H,(H2,8,11).
What are the key properties of 1,2,3-benzothiadiazole-5-carboxamide?
1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 179.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 20680261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).