4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine

C11H11N5O2S2 — CID 62194884

IUPAC4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN1C=Nc2ccccc2S1(=O)=O
InChIInChI=1S/C11H11N5O2S2/c1-12-11-9(14-15-19-11)6-16-7-13-8-4-2-3-5-10(8)20(16,17)18/h2-5,7,12H,6H2,1H3
InChIKeyZBJQXAZNRXHPIF-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.44
Rot. Bonds3

About 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine

4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine (PubChem CID 62194884) has the molecular formula C11H11N5O2S2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine
PubChem CID62194884
Molecular FormulaC11H11N5O2S2
Molecular Weight309.38 g/mol
Exact Mass309.04
IUPAC Name4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN1C=Nc2ccccc2S1(=O)=O
InChIInChI=1S/C11H11N5O2S2/c1-12-11-9(14-15-19-11)6-16-7-13-8-4-2-3-5-10(8)20(16,17)18/h2-5,7,12H,6H2,1H3
InChIKeyZBJQXAZNRXHPIF-UHFFFAOYSA-N
XLogP1.44
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine (CID 62194884) is 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN1C=Nc2ccccc2S1(=O)=O.
What is the InChIKey of 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is ZBJQXAZNRXHPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S2/c1-12-11-9(14-15-19-11)6-16-7-13-8-4-2-3-5-10(8)20(16,17)18/h2-5,7,12H,6H2,1H3.
What are the key properties of 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine?
4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 309.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxo-1λ6,2,4-benzothiadiazin-2-yl)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62194884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).