(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine

C9H11N3O2S — CID 5228893

IUPAC(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
SMILESCOc1cc(OC)c2nc(NN)sc2c1
InChIInChI=1S/C9H11N3O2S/c1-13-5-3-6(14-2)8-7(4-5)15-9(11-8)12-10/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyVUQXCUAFYDHYRJ-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.60
Rot. Bonds3

About (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine

(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 5228893) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
PubChem CID5228893
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
SMILESCOc1cc(OC)c2nc(NN)sc2c1
InChIInChI=1S/C9H11N3O2S/c1-13-5-3-6(14-2)8-7(4-5)15-9(11-8)12-10/h3-4H,10H2,1-2H3,(H,11,12)
InChIKeyVUQXCUAFYDHYRJ-UHFFFAOYSA-N
XLogP1.60
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine (CID 5228893) is (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine is COc1cc(OC)c2nc(NN)sc2c1.
What is the InChIKey of (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is VUQXCUAFYDHYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c1-13-5-3-6(14-2)8-7(4-5)15-9(11-8)12-10/h3-4H,10H2,1-2H3,(H,11,12).
What are the key properties of (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine?
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 225.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 5228893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).