1-hydrazinylidene-1,3-benzothiazole

C7H7N3S — CID 170698611

IUPAC1-hydrazinylidene-1,3-benzothiazole
SMILESNN=S1C=Nc2ccccc21
InChIInChI=1S/C7H7N3S/c8-10-11-5-9-6-3-1-2-4-7(6)11/h1-5H,8H2
InChIKeyWEOFNQFRCCQHNW-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.39
Rot. Bonds

About 1-hydrazinylidene-1,3-benzothiazole

1-hydrazinylidene-1,3-benzothiazole (PubChem CID 170698611) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-hydrazinylidene-1,3-benzothiazole.

Molecular Properties

Compound Name1-hydrazinylidene-1,3-benzothiazole
PubChem CID170698611
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name1-hydrazinylidene-1,3-benzothiazole
SMILESNN=S1C=Nc2ccccc21
InChIInChI=1S/C7H7N3S/c8-10-11-5-9-6-3-1-2-4-7(6)11/h1-5H,8H2
InChIKeyWEOFNQFRCCQHNW-UHFFFAOYSA-N
XLogP1.39
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-hydrazinylidene-1,3-benzothiazole?
The IUPAC name of 1-hydrazinylidene-1,3-benzothiazole (CID 170698611) is 1-hydrazinylidene-1,3-benzothiazole.
What is the SMILES notation for 1-hydrazinylidene-1,3-benzothiazole?
The canonical SMILES for 1-hydrazinylidene-1,3-benzothiazole is NN=S1C=Nc2ccccc21.
What is the InChIKey of 1-hydrazinylidene-1,3-benzothiazole?
The InChIKey is WEOFNQFRCCQHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-10-11-5-9-6-3-1-2-4-7(6)11/h1-5H,8H2.
What are the key properties of 1-hydrazinylidene-1,3-benzothiazole?
1-hydrazinylidene-1,3-benzothiazole has a molecular weight of 165.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylidene-1,3-benzothiazole is sourced from PubChem (CID 170698611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).