[2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine

C17H17N3S — CID 105224743

IUPAC[2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine
SMILESNNC(Cc1nc2ccccc2s1)C1Cc2ccccc21
InChIInChI=1S/C17H17N3S/c18-20-15(13-9-11-5-1-2-6-12(11)13)10-17-19-14-7-3-4-8-16(14)21-17/h1-8,13,15,20H,9-10,18H2
InChIKeyHZMFCOMAJJSWRE-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.01
Rot. Bonds4

About [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine

[2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine (PubChem CID 105224743) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine
PubChem CID105224743
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name[2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine
SMILESNNC(Cc1nc2ccccc2s1)C1Cc2ccccc21
InChIInChI=1S/C17H17N3S/c18-20-15(13-9-11-5-1-2-6-12(11)13)10-17-19-14-7-3-4-8-16(14)21-17/h1-8,13,15,20H,9-10,18H2
InChIKeyHZMFCOMAJJSWRE-UHFFFAOYSA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.01
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

[2-(1,3-benzothiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]hydrazine
CID 105325144
N-(1,3-benzothiazol-2-ylmethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 66396186
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
[2-(1,3-benzothiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694613
[1-(1,3-benzothiazol-2-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206383
[1-(1,3-benzothiazol-2-yl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273449
2-(1,3-benzothiazol-2-yl)-1-cyclobutylethanamine
CID 43118643
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-ethoxyethyl]hydrazine
CID 105224705
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105224789
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
[2-(1,3-benzothiazol-2-yl)-1-pyridin-2-ylethyl]hydrazine
CID 105195863

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine?
The IUPAC name of [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine (CID 105224743) is [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine?
The canonical SMILES for [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine is NNC(Cc1nc2ccccc2s1)C1Cc2ccccc21.
What is the InChIKey of [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine?
The InChIKey is HZMFCOMAJJSWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c18-20-15(13-9-11-5-1-2-6-12(11)13)10-17-19-14-7-3-4-8-16(14)21-17/h1-8,13,15,20H,9-10,18H2.
What are the key properties of [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine?
[2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine has a molecular weight of 295.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]hydrazine is sourced from PubChem (CID 105224743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).