1,3-benzothiazol-2-ylhydrazine

C7H7N3S — CID 11988

IUPAC1,3-benzothiazol-2-ylhydrazine
SMILESNNc1nc2ccccc2s1
InChIInChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
InChIKeyJYSUYJCLUODSLN-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.58
Rot. Bonds1

About 1,3-benzothiazol-2-ylhydrazine

1,3-benzothiazol-2-ylhydrazine (PubChem CID 11988) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylhydrazine.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylhydrazine
PubChem CID11988
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name1,3-benzothiazol-2-ylhydrazine
SMILESNNc1nc2ccccc2s1
InChIInChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10)
InChIKeyJYSUYJCLUODSLN-UHFFFAOYSA-N
XLogP1.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.58
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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Related Compounds

Sodium 2-mercaptobenzothiazole
CID 3714831
Benzo(d)thiazol-2-amine
CID 8706
2-Amino-6-methylbenzothiazole
CID 17335
2-Benzothiazolamine, 6-(methylsulfonyl)-
CID 87152
6-Chloro-2-benzothiazolamine
CID 7226
2,6-Benzothiazolediamine
CID 21504
2-Amino-6-nitrobenzothiazole
CID 22704
5-Chloro-2-benzothiazolamine
CID 30120
Benzthiazuron
CID 16007
2-Chlorobenzothiazole
CID 11987
2-Benzothiazolamine, 6-bromo-
CID 85149
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylhydrazine?
The IUPAC name of 1,3-benzothiazol-2-ylhydrazine (CID 11988) is 1,3-benzothiazol-2-ylhydrazine.
What is the SMILES notation for 1,3-benzothiazol-2-ylhydrazine?
The canonical SMILES for 1,3-benzothiazol-2-ylhydrazine is NNc1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-ylhydrazine?
The InChIKey is JYSUYJCLUODSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-10-7-9-5-3-1-2-4-6(5)11-7/h1-4H,8H2,(H,9,10).
What are the key properties of 1,3-benzothiazol-2-ylhydrazine?
1,3-benzothiazol-2-ylhydrazine has a molecular weight of 165.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylhydrazine is sourced from PubChem (CID 11988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).