N-(2,1,3-benzothiadiazol-4-yl)butanamide

C10H11N3OS — CID 842934

IUPACN-(2,1,3-benzothiadiazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C10H11N3OS/c1-2-4-9(14)11-7-5-3-6-8-10(7)13-15-12-8/h3,5-6H,2,4H2,1H3,(H,11,14)
InChIKeyLBWRZYTZHBERGJ-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.43
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)butanamide

N-(2,1,3-benzothiadiazol-4-yl)butanamide (PubChem CID 842934) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)butanamide
PubChem CID842934
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cccc2nsnc12
InChIInChI=1S/C10H11N3OS/c1-2-4-9(14)11-7-5-3-6-8-10(7)13-15-12-8/h3,5-6H,2,4H2,1H3,(H,11,14)
InChIKeyLBWRZYTZHBERGJ-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,1,3-Benzothiadiazol-5-yl)acetamide
CID 591904
1-(2,1,3-Benzothiadiazol-4-yl)-3-phenylurea
CID 748227
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-(benzo[c][1,2,5]thiadiazol-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 661408
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

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)butanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)butanamide (CID 842934) is N-(2,1,3-benzothiadiazol-4-yl)butanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)butanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)butanamide is CCCC(=O)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)butanamide?
The InChIKey is LBWRZYTZHBERGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-4-9(14)11-7-5-3-6-8-10(7)13-15-12-8/h3,5-6H,2,4H2,1H3,(H,11,14).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)butanamide?
N-(2,1,3-benzothiadiazol-4-yl)butanamide has a molecular weight of 221.29 g/mol, XLogP of 2.43, 3 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-4-yl)butanamide is sourced from PubChem (CID 842934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).