2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline

C13H12N4S — CID 91034302

IUPAC2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline
SMILESNNc1cccc(-c2cccc3ncsc23)c1N
InChIInChI=1S/C13H12N4S/c14-12-8(3-1-5-10(12)17-15)9-4-2-6-11-13(9)18-7-16-11/h1-7,17H,14-15H2
InChIKeyWXHPASXISXGPQF-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.83
Rot. Bonds2

About 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline

2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline (PubChem CID 91034302) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline.

Molecular Properties

Compound Name2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline
PubChem CID91034302
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline
SMILESNNc1cccc(-c2cccc3ncsc23)c1N
InChIInChI=1S/C13H12N4S/c14-12-8(3-1-5-10(12)17-15)9-4-2-6-11-13(9)18-7-16-11/h1-7,17H,14-15H2
InChIKeyWXHPASXISXGPQF-UHFFFAOYSA-N
XLogP2.83
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 90901282
3-(1,3-benzothiazol-7-yl)-2-diazenylaniline
CID 90993799
1,3-benzothiazole;2-hydrazinylaniline
CID 143333953
1,3-benzothiazol-7-ol
CID 23289256
N,N-dichloro-1,3-benzothiazol-7-amine
CID 19971386
7-(chloromethyl)-1,3-benzothiazole
CID 14096730
1,3-benzothiazole-7-carbonitrile
CID 69455274
2-(1,3-benzothiazol-7-yloxy)ethanamine
CID 84665566
7-ethoxy-1,3-benzothiazole
CID 18461248
6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 19145042
2-(1,3-benzothiazol-7-yl)acetaldehyde
CID 83874739
methyl 2-(1,3-benzothiazol-7-yl)acetate
CID 162379786

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline?
The IUPAC name of 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline (CID 91034302) is 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline.
What is the SMILES notation for 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline?
The canonical SMILES for 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline is NNc1cccc(-c2cccc3ncsc23)c1N.
What is the InChIKey of 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline?
The InChIKey is WXHPASXISXGPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-12-8(3-1-5-10(12)17-15)9-4-2-6-11-13(9)18-7-16-11/h1-7,17H,14-15H2.
What are the key properties of 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline?
2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline has a molecular weight of 256.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline is sourced from PubChem (CID 91034302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).