6-hydrazinyl-1,3-benzothiazol-2-amine

C7H8N4S — CID 116994182

IUPAC6-hydrazinyl-1,3-benzothiazol-2-amine
SMILESNNc1ccc2nc(N)sc2c1
InChIInChI=1S/C7H8N4S/c8-7-10-5-2-1-4(11-9)3-6(5)12-7/h1-3,11H,9H2,(H2,8,10)
InChIKeyKZUIBRAWZMDNMT-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.16
Rot. Bonds1

About 6-hydrazinyl-1,3-benzothiazol-2-amine

6-hydrazinyl-1,3-benzothiazol-2-amine (PubChem CID 116994182) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 6-hydrazinyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-1,3-benzothiazol-2-amine
PubChem CID116994182
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name6-hydrazinyl-1,3-benzothiazol-2-amine
SMILESNNc1ccc2nc(N)sc2c1
InChIInChI=1S/C7H8N4S/c8-7-10-5-2-1-4(11-9)3-6(5)12-7/h1-3,11H,9H2,(H2,8,10)
InChIKeyKZUIBRAWZMDNMT-UHFFFAOYSA-N
XLogP1.16
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

6-N-phenyl-1,3-benzothiazole-2,6-diamine
CID 21455645
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
2-amino-N'-hydrazinyl-1,3-benzothiazole-6-carboximidamide
CID 170733892
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
(2-amino-1,3-benzothiazol-6-yl)boronic acid
CID 119086634
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
CID 116994111
6-N-[4-(4,4-dimethylcyclohexyl)phenyl]-1,3-benzothiazole-2,6-diamine
CID 167300097
N-(2-amino-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 94675029

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-hydrazinyl-1,3-benzothiazol-2-amine (CID 116994182) is 6-hydrazinyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-hydrazinyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-hydrazinyl-1,3-benzothiazol-2-amine is NNc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-hydrazinyl-1,3-benzothiazol-2-amine?
The InChIKey is KZUIBRAWZMDNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-7-10-5-2-1-4(11-9)3-6(5)12-7/h1-3,11H,9H2,(H2,8,10).
What are the key properties of 6-hydrazinyl-1,3-benzothiazol-2-amine?
6-hydrazinyl-1,3-benzothiazol-2-amine has a molecular weight of 180.24 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 116994182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).