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

C6H9N3S — CID 83872836

IUPAC4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine
SMILESNC1CCCc2snnc21
InChIInChI=1S/C6H9N3S/c7-4-2-1-3-5-6(4)8-9-10-5/h4H,1-3,7H2
InChIKeyCBJVHMJMCAZSBQ-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.87
Rot. Bonds

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

4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine (PubChem CID 83872836) 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-4-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine
PubChem CID83872836
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine
SMILESNC1CCCc2snnc21
InChIInChI=1S/C6H9N3S/c7-4-2-1-3-5-6(4)8-9-10-5/h4H,1-3,7H2
InChIKeyCBJVHMJMCAZSBQ-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,6,7-Tetrahydro-1,2,3-benzothiadiazol-6-amine
CID 82416293
1-(4-Propyl-1,2,3-thiadiazol-5-yl)ethan-1-amine
CID 83350164
N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine
CID 83873943
N-methyl-4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-7-amine
CID 83873947
1-(4-Methylthiadiazol-5-yl)butan-1-amine
CID 121600264
1-(4-Methylthiadiazol-5-yl)propan-1-amine
CID 121601346
1-(4-Ethylthiadiazol-5-yl)propan-1-amine
CID 121602541
1-(4-Propyl-1,2,3-thiadiazol-5-yl)ethan-1-amine hydrochloride
CID 155943992

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine?
The IUPAC name of 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine (CID 83872836) is 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine is NC1CCCc2snnc21.
What is the InChIKey of 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine?
The InChIKey is CBJVHMJMCAZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-4-2-1-3-5-6(4)8-9-10-5/h4H,1-3,7H2.
What are the key properties of 4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine?
4,5,6,7-tetrahydro-1,2,3-benzothiadiazol-4-amine has a molecular weight of 155.23 g/mol, XLogP of 0.87, 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-4-amine is sourced from PubChem (CID 83872836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).