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

C10H9N3OS — CID 676138

IUPACN-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc2nsnc2c1)C1CC1
InChIInChI=1S/C10H9N3OS/c14-10(6-1-2-6)11-7-3-4-8-9(5-7)13-15-12-8/h3-6H,1-2H2,(H,11,14)
InChIKeyMVTJZSASKJROLK-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.04
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide (PubChem CID 676138) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
PubChem CID676138
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc2nsnc2c1)C1CC1
InChIInChI=1S/C10H9N3OS/c14-10(6-1-2-6)11-7-3-4-8-9(5-7)13-15-12-8/h3-6H,1-2H2,(H,11,14)
InChIKeyMVTJZSASKJROLK-UHFFFAOYSA-N
XLogP2.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methylpropanamide
CID 737745
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
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
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)-3-methylbutanamide
CID 6621516
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
CID 933563
N-(2,1,3-benzoselenadiazol-4-yl)acetamide
CID 3089118
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)propanamide
CID 842936
N-2,1,3-benzothiadiazol-5-yl-2-chloroacetamide
CID 1120455

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide (CID 676138) is N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide is O=C(Nc1ccc2nsnc2c1)C1CC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide?
The InChIKey is MVTJZSASKJROLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-10(6-1-2-6)11-7-3-4-8-9(5-7)13-15-12-8/h3-6H,1-2H2,(H,11,14).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide?
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide has a molecular weight of 219.27 g/mol, XLogP of 2.04, 2 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)cyclopropanecarboxamide is sourced from PubChem (CID 676138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).