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

C8H9N3S — CID 2049839

IUPAC(6-methyl-1,3-benzothiazol-2-yl)hydrazine
SMILESCc1ccc2nc(NN)sc2c1
InChIInChI=1S/C8H9N3S/c1-5-2-3-6-7(4-5)12-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
InChIKeyFKQJZJBFHUUYBV-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.89
Rot. Bonds1

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

(6-methyl-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 2049839) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is (6-methyl-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name(6-methyl-1,3-benzothiazol-2-yl)hydrazine
PubChem CID2049839
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name(6-methyl-1,3-benzothiazol-2-yl)hydrazine
SMILESCc1ccc2nc(NN)sc2c1
InChIInChI=1S/C8H9N3S/c1-5-2-3-6-7(4-5)12-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
InChIKeyFKQJZJBFHUUYBV-UHFFFAOYSA-N
XLogP1.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.89
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-methyl-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of (6-methyl-1,3-benzothiazol-2-yl)hydrazine (CID 2049839) is (6-methyl-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for (6-methyl-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for (6-methyl-1,3-benzothiazol-2-yl)hydrazine is Cc1ccc2nc(NN)sc2c1.
What is the InChIKey of (6-methyl-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is FKQJZJBFHUUYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-5-2-3-6-7(4-5)12-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of (6-methyl-1,3-benzothiazol-2-yl)hydrazine?
(6-methyl-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 179.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 2049839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).