N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide

C12H7N3O3S — CID 45497148

IUPACN-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(=O)oc1
InChIInChI=1S/C12H7N3O3S/c16-10-5-4-7(6-18-10)12(17)13-8-2-1-3-9-11(8)15-19-14-9/h1-6H,(H,13,17)
InChIKeyBSAIIDRRUZSPGG-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.90
Rot. Bonds2

About N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide (PubChem CID 45497148) has the molecular formula C12H7N3O3S and a molecular weight of 273.27 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide
PubChem CID45497148
Molecular FormulaC12H7N3O3S
Molecular Weight273.27 g/mol
Exact Mass273.02
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(=O)oc1
InChIInChI=1S/C12H7N3O3S/c16-10-5-4-7(6-18-10)12(17)13-8-2-1-3-9-11(8)15-19-14-9/h1-6H,(H,13,17)
InChIKeyBSAIIDRRUZSPGG-UHFFFAOYSA-N
XLogP1.90
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide (CID 45497148) is N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide is O=C(Nc1cccc2nsnc12)c1ccc(=O)oc1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide?
The InChIKey is BSAIIDRRUZSPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3S/c16-10-5-4-7(6-18-10)12(17)13-8-2-1-3-9-11(8)15-19-14-9/h1-6H,(H,13,17).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 45497148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).