N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide

C11H7N3OS2 — CID 573742

IUPACN-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nsnc2c1)c1cccs1
InChIInChI=1S/C11H7N3OS2/c15-11(10-2-1-5-16-10)12-7-3-4-8-9(6-7)14-17-13-8/h1-6H,(H,12,15)
InChIKeyWRJZGOHIGJSGJG-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.01
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide (PubChem CID 573742) has the molecular formula C11H7N3OS2 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide
PubChem CID573742
Molecular FormulaC11H7N3OS2
Molecular Weight261.33 g/mol
Exact Mass261.00
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2nsnc2c1)c1cccs1
InChIInChI=1S/C11H7N3OS2/c15-11(10-2-1-5-16-10)12-7-3-4-8-9(6-7)14-17-13-8/h1-6H,(H,12,15)
InChIKeyWRJZGOHIGJSGJG-UHFFFAOYSA-N
XLogP3.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide (CID 573742) is N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2nsnc2c1)c1cccs1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide?
The InChIKey is WRJZGOHIGJSGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS2/c15-11(10-2-1-5-16-10)12-7-3-4-8-9(6-7)14-17-13-8/h1-6H,(H,12,15).
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide?
N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 573742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).