N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide

C16H11N5OS — CID 42545433

IUPACN-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide
SMILESCc1cc2c(NC(=O)c3cccc4nsnc34)cccc2nn1
InChIInChI=1S/C16H11N5OS/c1-9-8-11-12(5-3-6-13(11)19-18-9)17-16(22)10-4-2-7-14-15(10)21-23-20-14/h2-8H,1H3,(H,17,22)
InChIKeyVKIMIOZIQHJDDF-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.20
Rot. Bonds2

About N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide

N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide (PubChem CID 42545433) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide
PubChem CID42545433
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC NameN-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide
SMILESCc1cc2c(NC(=O)c3cccc4nsnc34)cccc2nn1
InChIInChI=1S/C16H11N5OS/c1-9-8-11-12(5-3-6-13(11)19-18-9)17-16(22)10-4-2-7-14-15(10)21-23-20-14/h2-8H,1H3,(H,17,22)
InChIKeyVKIMIOZIQHJDDF-UHFFFAOYSA-N
XLogP3.20
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylcinnolin-5-yl)-2-phenylbenzamide
CID 59643758
N-(4-methylphenyl)-2,1,3-benzothiadiazole-4-carboxamide
CID 42545444
N-(2,1,3-benzothiadiazol-4-yl)-2-methoxybenzamide
CID 711890
1-(4-fluorophenyl)-3-(3-methylcinnolin-5-yl)urea
CID 6409921
4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide
CID 117073521
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
N-(2,1,3-benzothiadiazol-4-yl)-6-methoxypyridazine-3-carboxamide
CID 90509394
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
N-oxo-2,1,3-benzothiadiazole-4-carboxamide
CID 134287124
N-(2,1,3-benzothiadiazol-4-yl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573690
5-bromo-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)naphthalene-1-carboxamide
CID 17027032
N-[3-(pyrazol-1-ylmethyl)phenyl]-2,1,3-benzothiadiazole-4-carboxamide
CID 42545419

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide?
The IUPAC name of N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide (CID 42545433) is N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide?
The canonical SMILES for N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide is Cc1cc2c(NC(=O)c3cccc4nsnc34)cccc2nn1.
What is the InChIKey of N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide?
The InChIKey is VKIMIOZIQHJDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c1-9-8-11-12(5-3-6-13(11)19-18-9)17-16(22)10-4-2-7-14-15(10)21-23-20-14/h2-8H,1H3,(H,17,22).
What are the key properties of N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide?
N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcinnolin-5-yl)-2,1,3-benzothiadiazole-4-carboxamide is sourced from PubChem (CID 42545433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).