(6-bromo-1,3-benzothiazol-2-yl)hydrazine

C7H6BrN3S — CID 2049845

IUPAC(6-bromo-1,3-benzothiazol-2-yl)hydrazine
SMILESNNc1nc2ccc(Br)cc2s1
InChIInChI=1S/C7H6BrN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)
InChIKeyYWLCJGPJVPUESW-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.34
Rot. Bonds1

About (6-bromo-1,3-benzothiazol-2-yl)hydrazine

(6-bromo-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 2049845) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is (6-bromo-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(6-bromo-1,3-benzothiazol-2-yl)hydrazine
PubChem CID2049845
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name(6-bromo-1,3-benzothiazol-2-yl)hydrazine
SMILESNNc1nc2ccc(Br)cc2s1
InChIInChI=1S/C7H6BrN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)
InChIKeyYWLCJGPJVPUESW-UHFFFAOYSA-N
XLogP2.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of (6-bromo-1,3-benzothiazol-2-yl)hydrazine (CID 2049845) is (6-bromo-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for (6-bromo-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for (6-bromo-1,3-benzothiazol-2-yl)hydrazine is NNc1nc2ccc(Br)cc2s1.
What is the InChIKey of (6-bromo-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is YWLCJGPJVPUESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11).
What are the key properties of (6-bromo-1,3-benzothiazol-2-yl)hydrazine?
(6-bromo-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 244.12 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 2049845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).