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

C6H9N3S — CID 82416293

IUPAC4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine
SMILESNC1CCc2nnsc2C1
InChIInChI=1S/C6H9N3S/c7-4-1-2-5-6(3-4)10-9-8-5/h4H,1-3,7H2
InChIKeyBJDTVEMAPCUYTF-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.35
Rot. Bonds

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

4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine (PubChem CID 82416293) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine
PubChem CID82416293
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine
SMILESNC1CCc2nnsc2C1
InChIInChI=1S/C6H9N3S/c7-4-1-2-5-6(3-4)10-9-8-5/h4H,1-3,7H2
InChIKeyBJDTVEMAPCUYTF-UHFFFAOYSA-N
XLogP0.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine?
The IUPAC name of 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine (CID 82416293) is 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine is NC1CCc2nnsc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine?
The InChIKey is BJDTVEMAPCUYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-4-1-2-5-6(3-4)10-9-8-5/h4H,1-3,7H2.
What are the key properties of 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine?
4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine has a molecular weight of 155.23 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-6-amine is sourced from PubChem (CID 82416293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).