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

C11H13N3OS — CID 20897468

IUPACN-(2,1,3-benzothiadiazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C11H13N3OS/c1-2-3-4-11(15)12-8-5-6-9-10(7-8)14-16-13-9/h5-7H,2-4H2,1H3,(H,12,15)
InChIKeyXYGHFJSZGKSZAR-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.82
Rot. Bonds4

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

N-(2,1,3-benzothiadiazol-5-yl)pentanamide (PubChem CID 20897468) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)pentanamide
PubChem CID20897468
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)pentanamide
SMILESCCCCC(=O)Nc1ccc2nsnc2c1
InChIInChI=1S/C11H13N3OS/c1-2-3-4-11(15)12-8-5-6-9-10(7-8)14-16-13-9/h5-7H,2-4H2,1H3,(H,12,15)
InChIKeyXYGHFJSZGKSZAR-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,1,3-benzothiadiazol-5-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)pentanamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)pentanamide (CID 20897468) is N-(2,1,3-benzothiadiazol-5-yl)pentanamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)pentanamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)pentanamide is CCCCC(=O)Nc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)pentanamide?
The InChIKey is XYGHFJSZGKSZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-3-4-11(15)12-8-5-6-9-10(7-8)14-16-13-9/h5-7H,2-4H2,1H3,(H,12,15).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)pentanamide?
N-(2,1,3-benzothiadiazol-5-yl)pentanamide has a molecular weight of 235.31 g/mol, XLogP of 2.82, 4 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)pentanamide is sourced from PubChem (CID 20897468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).