N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide

C11H7N3O2S — CID 711913

IUPACN-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccco1
InChIInChI=1S/C11H7N3O2S/c15-11(9-5-2-6-16-9)12-7-3-1-4-8-10(7)14-17-13-8/h1-6H,(H,12,15)
InChIKeyDITCUMMKUXZFIY-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.54
Rot. Bonds2

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

N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (PubChem CID 711913) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
PubChem CID711913
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccco1
InChIInChI=1S/C11H7N3O2S/c15-11(9-5-2-6-16-9)12-7-3-1-4-8-10(7)14-17-13-8/h1-6H,(H,12,15)
InChIKeyDITCUMMKUXZFIY-UHFFFAOYSA-N
XLogP2.54
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.54
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-4-yl)furan-2-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide (CID 711913) is N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide is O=C(Nc1cccc2nsnc12)c1ccco1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
The InChIKey is DITCUMMKUXZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-11(9-5-2-6-16-9)12-7-3-1-4-8-10(7)14-17-13-8/h1-6H,(H,12,15).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)furan-2-carboxamide has a molecular weight of 245.26 g/mol, XLogP of 2.54, 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-4-yl)furan-2-carboxamide is sourced from PubChem (CID 711913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).