N-(2,1,3-benzothiadiazol-5-yl)acetamide

C8H7N3OS — CID 591904

IUPACN-(2,1,3-benzothiadiazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKeyDCJCIZAANYCYFG-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.65
Rot. Bonds1

About N-(2,1,3-benzothiadiazol-5-yl)acetamide

N-(2,1,3-benzothiadiazol-5-yl)acetamide (PubChem CID 591904) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)acetamide
PubChem CID591904
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKeyDCJCIZAANYCYFG-UHFFFAOYSA-N
XLogP1.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,1,3-Benzothiadiazol-5-amine
CID 314313
1-(2,1,3-Benzothiadiazol-4-yl)-3-phenylurea
CID 748227
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
3-(2,1,3-Benzothiadiazol-5-yl)-1,1-di(propan-2-yl)urea
CID 1072934
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
CID 676138
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048
N-(2,1,3-benzothiadiazol-5-yl)-2,4-dimethyl-6-oxo-3-pyrancarboxamide
CID 659450
N-2,1,3-benzothiadiazol-5-yl-1-piperidinecarboxamide
CID 804116
N-2,1,3-benzothiadiazol-5-yl-1-azepanecarboxamide
CID 804374
3-methyl-N-(2-phenylbenzotriazol-5-yl)butanamide
CID 1121188
N-[2-(4-fluorophenyl)benzotriazol-5-yl]propanamide
CID 1141321
2-methyl-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)propanamide
CID 2880864

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)acetamide (CID 591904) is N-(2,1,3-benzothiadiazol-5-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)acetamide is CC(=O)Nc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)acetamide?
The InChIKey is DCJCIZAANYCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)acetamide?
N-(2,1,3-benzothiadiazol-5-yl)acetamide has a molecular weight of 193.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)acetamide is sourced from PubChem (CID 591904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).