N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine

C7H11N3S — CID 83873947

IUPACN-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine
SMILESCNC1CCCc2nnsc21
InChIInChI=1S/C7H11N3S/c1-8-5-3-2-4-6-7(5)11-10-9-6/h5,8H,2-4H2,1H3
InChIKeyXPBVZAHDXPYHAN-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.13
Rot. Bonds1

About N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine

N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine (PubChem CID 83873947) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine.

Molecular Properties

Compound NameN-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine
PubChem CID83873947
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine
SMILESCNC1CCCc2nnsc21
InChIInChI=1S/C7H11N3S/c1-8-5-3-2-4-6-7(5)11-10-9-6/h5,8H,2-4H2,1H3
InChIKeyXPBVZAHDXPYHAN-UHFFFAOYSA-N
XLogP1.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine?
The IUPAC name of N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine (CID 83873947) is N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine.
What is the SMILES notation for N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine?
The canonical SMILES for N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine is CNC1CCCc2nnsc21.
What is the InChIKey of N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine?
The InChIKey is XPBVZAHDXPYHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-8-5-3-2-4-6-7(5)11-10-9-6/h5,8H,2-4H2,1H3.
What are the key properties of N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine?
N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine has a molecular weight of 169.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine is sourced from PubChem (CID 83873947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).