1,2,3-benzothiadiazole-4-carboxamide

C7H5N3OS — CID 54111767

IUPAC1,2,3-benzothiadiazole-4-carboxamide
SMILESNC(=O)c1cccc2snnc12
InChIInChI=1S/C7H5N3OS/c8-7(11)4-2-1-3-5-6(4)9-10-12-5/h1-3H,(H2,8,11)
InChIKeyNHPZGJNCBBVUHW-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.79
Rot. Bonds1

About 1,2,3-benzothiadiazole-4-carboxamide

1,2,3-benzothiadiazole-4-carboxamide (PubChem CID 54111767) has the molecular formula C7H5N3OS and a molecular weight of 179.20 g/mol. Its IUPAC name is 1,2,3-benzothiadiazole-4-carboxamide.

Molecular Properties

Compound Name1,2,3-benzothiadiazole-4-carboxamide
PubChem CID54111767
Molecular FormulaC7H5N3OS
Molecular Weight179.20 g/mol
Exact Mass179.02
IUPAC Name1,2,3-benzothiadiazole-4-carboxamide
SMILESNC(=O)c1cccc2snnc12
InChIInChI=1S/C7H5N3OS/c8-7(11)4-2-1-3-5-6(4)9-10-12-5/h1-3H,(H2,8,11)
InChIKeyNHPZGJNCBBVUHW-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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Related Compounds

Benzothiadiazole carbaldehyde
CID 14855317
S-methyl 1,2,3-benzothiadiazole-4-carbothioate
CID 54158374
4-Fluoro-1,2,3-benzothiadiazole-6-carboxamide
CID 140661802
4-methyl-1,2,3-benzothiadiazole-7-carbothioic S-acid
CID 18427359
1-(1,2,3-Benzothiadiazol-4-yl)ethanone
CID 20096440
Benzo[1,2,3]thiadiazole-5-carboxylic acid amide
CID 20680261
Benzo-1,2,3-thiadiazole-7-carboxylic acid amide
CID 22403364
1,2,3-Benzothiadiazole-4-carbonyl chloride
CID 53420084
1,2,3-Benzothiadiazole-4,6-dicarbaldehyde
CID 53917159
Benzo[d][1,2,3]thiadiazole-6-carbaldehyde
CID 54104815
1,2,3-benzothiadiazole-4-carbothioic S-acid
CID 54266356
1-(1,2,3-Benzothiadiazol-4-yl)-2,2-dimethylpropan-1-one
CID 57894454

Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazole-4-carboxamide?
The IUPAC name of 1,2,3-benzothiadiazole-4-carboxamide (CID 54111767) is 1,2,3-benzothiadiazole-4-carboxamide.
What is the SMILES notation for 1,2,3-benzothiadiazole-4-carboxamide?
The canonical SMILES for 1,2,3-benzothiadiazole-4-carboxamide is NC(=O)c1cccc2snnc12.
What is the InChIKey of 1,2,3-benzothiadiazole-4-carboxamide?
The InChIKey is NHPZGJNCBBVUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS/c8-7(11)4-2-1-3-5-6(4)9-10-12-5/h1-3H,(H2,8,11).
What are the key properties of 1,2,3-benzothiadiazole-4-carboxamide?
1,2,3-benzothiadiazole-4-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-4-carboxamide is sourced from PubChem (CID 54111767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).