N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide

C8H8N4S — CID 142026886

IUPACN'-methyl-2,1,3-benzothiadiazole-5-carboximidamide
SMILESC/N=C(\N)c1ccc2nsnc2c1
InChIInChI=1S/C8H8N4S/c1-10-8(9)5-2-3-6-7(4-5)12-13-11-6/h2-4H,1H3,(H2,9,10)
InChIKeyXNPCVPZPIKMTHD-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.03
Rot. Bonds1

About N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide

N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide (PubChem CID 142026886) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2,1,3-benzothiadiazole-5-carboximidamide
PubChem CID142026886
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC NameN'-methyl-2,1,3-benzothiadiazole-5-carboximidamide
SMILESC/N=C(\N)c1ccc2nsnc2c1
InChIInChI=1S/C8H8N4S/c1-10-8(9)5-2-3-6-7(4-5)12-13-11-6/h2-4H,1H3,(H2,9,10)
InChIKeyXNPCVPZPIKMTHD-UHFFFAOYSA-N
XLogP1.03
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide 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'-methyl-2,1,3-benzothiadiazole-5-carboximidamide?
The IUPAC name of N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide (CID 142026886) is N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide.
What is the SMILES notation for N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide?
The canonical SMILES for N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide is C/N=C(\N)c1ccc2nsnc2c1.
What is the InChIKey of N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide?
The InChIKey is XNPCVPZPIKMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-10-8(9)5-2-3-6-7(4-5)12-13-11-6/h2-4H,1H3,(H2,9,10).
What are the key properties of N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide?
N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide has a molecular weight of 192.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2,1,3-benzothiadiazole-5-carboximidamide is sourced from PubChem (CID 142026886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).