N-methyl-1,2,3-benzothiadiazole-5-carboxamide

C8H7N3OS — CID 5309299

IUPACN-methyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESCNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C8H7N3OS/c1-9-8(12)5-2-3-7-6(4-5)10-11-13-7/h2-4H,1H3,(H,9,12)
InChIKeyNLKWKKBCIDTKLP-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.05
Rot. Bonds1

About N-methyl-1,2,3-benzothiadiazole-5-carboxamide

N-methyl-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 5309299) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is N-methyl-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID5309299
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC NameN-methyl-1,2,3-benzothiadiazole-5-carboxamide
SMILESCNC(=O)c1ccc2snnc2c1
InChIInChI=1S/C8H7N3OS/c1-9-8(12)5-2-3-7-6(4-5)10-11-13-7/h2-4H,1H3,(H,9,12)
InChIKeyNLKWKKBCIDTKLP-UHFFFAOYSA-N
XLogP1.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-methyl-1,2,3-benzothiadiazole-5-carboxamide (CID 5309299) is N-methyl-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-methyl-1,2,3-benzothiadiazole-5-carboxamide is CNC(=O)c1ccc2snnc2c1.
What is the InChIKey of N-methyl-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is NLKWKKBCIDTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-9-8(12)5-2-3-7-6(4-5)10-11-13-7/h2-4H,1H3,(H,9,12).
What are the key properties of N-methyl-1,2,3-benzothiadiazole-5-carboxamide?
N-methyl-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 193.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 5309299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).