N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide

C12H8N4OS — CID 2925182

IUPACN-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2snnc2c1
InChIInChI=1S/C12H8N4OS/c17-12(14-9-2-1-5-13-7-9)8-3-4-11-10(6-8)15-16-18-11/h1-7H,(H,14,17)
InChIKeyZJTRKQDHYRGEPQ-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.34
Rot. Bonds2

About N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide

N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 2925182) has the molecular formula C12H8N4OS and a molecular weight of 256.29 g/mol. Its IUPAC name is N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID2925182
Molecular FormulaC12H8N4OS
Molecular Weight256.29 g/mol
Exact Mass256.04
IUPAC NameN-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2snnc2c1
InChIInChI=1S/C12H8N4OS/c17-12(14-9-2-1-5-13-7-9)8-3-4-11-10(6-8)15-16-18-11/h1-7H,(H,14,17)
InChIKeyZJTRKQDHYRGEPQ-UHFFFAOYSA-N
XLogP2.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide 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-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide (CID 2925182) is N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide is O=C(Nc1cccnc1)c1ccc2snnc2c1.
What is the InChIKey of N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is ZJTRKQDHYRGEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS/c17-12(14-9-2-1-5-13-7-9)8-3-4-11-10(6-8)15-16-18-11/h1-7H,(H,14,17).
What are the key properties of N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide?
N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 256.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 2925182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).