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

C10H11N3OS — CID 20897480

IUPACN-(2,1,3-benzothiadiazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C10H11N3OS/c1-2-3-10(14)11-7-4-5-8-9(6-7)13-15-12-8/h4-6H,2-3H2,1H3,(H,11,14)
InChIKeyFUWWSFHVLQCMJB-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.43
Rot. Bonds3

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

N-(2,1,3-benzothiadiazol-5-yl)butanamide (PubChem CID 20897480) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)butanamide
PubChem CID20897480
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C10H11N3OS/c1-2-3-10(14)11-7-4-5-8-9(6-7)13-15-12-8/h4-6H,2-3H2,1H3,(H,11,14)
InChIKeyFUWWSFHVLQCMJB-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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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)butanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)butanamide (CID 20897480) is N-(2,1,3-benzothiadiazol-5-yl)butanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)butanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)butanamide is CCCC(=O)Nc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)butanamide?
The InChIKey is FUWWSFHVLQCMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-2-3-10(14)11-7-4-5-8-9(6-7)13-15-12-8/h4-6H,2-3H2,1H3,(H,11,14).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)butanamide?
N-(2,1,3-benzothiadiazol-5-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-5-yl)butanamide is sourced from PubChem (CID 20897480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).