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

C11H11N3OS — CID 20931135

IUPACN-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide
SMILESO=C(Nc1cccc2nsnc12)C1CCC1
InChIInChI=1S/C11H11N3OS/c15-11(7-3-1-4-7)12-8-5-2-6-9-10(8)14-16-13-9/h2,5-7H,1,3-4H2,(H,12,15)
InChIKeyJTTAWPPMENYPAX-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.43
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide (PubChem CID 20931135) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide
PubChem CID20931135
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide
SMILESO=C(Nc1cccc2nsnc12)C1CCC1
InChIInChI=1S/C11H11N3OS/c15-11(7-3-1-4-7)12-8-5-2-6-9-10(8)14-16-13-9/h2,5-7H,1,3-4H2,(H,12,15)
InChIKeyJTTAWPPMENYPAX-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
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
N-(2,1,3-benzothiadiazol-5-yl)cyclopropanecarboxamide
CID 676138
N-(2,1,3-benzothiadiazol-4-yl)-2-methylpropanamide
CID 654048
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-(2,1,3-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-(5-methyl-2,1,3-benzothiadiazol-4-yl)-3-phenylpropanamide
CID 2929233
N-(2,1,3-benzothiadiazol-4-yl)-4-fluorobenzamide
CID 661175
N-(2,1,3-Benzoxadiazol-4-yl)acetamide
CID 585399

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide (CID 20931135) is N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide is O=C(Nc1cccc2nsnc12)C1CCC1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide?
The InChIKey is JTTAWPPMENYPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-11(7-3-1-4-7)12-8-5-2-6-9-10(8)14-16-13-9/h2,5-7H,1,3-4H2,(H,12,15).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide?
N-(2,1,3-benzothiadiazol-4-yl)cyclobutanecarboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.43, 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-4-yl)cyclobutanecarboxamide is sourced from PubChem (CID 20931135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).