1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine

C9H11N3S — CID 56621026

IUPAC1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine
SMILESCNN(C)c1nsc2ccccc12
InChIInChI=1S/C9H11N3S/c1-10-12(2)9-7-5-3-4-6-8(7)13-11-9/h3-6,10H,1-2H3
InChIKeyIBMXVQPABYJUSV-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.87
Rot. Bonds2

About 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine

1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine (PubChem CID 56621026) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine.

Molecular Properties

Compound Name1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine
PubChem CID56621026
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine
SMILESCNN(C)c1nsc2ccccc12
InChIInChI=1S/C9H11N3S/c1-10-12(2)9-7-5-3-4-6-8(7)13-11-9/h3-6,10H,1-2H3
InChIKeyIBMXVQPABYJUSV-UHFFFAOYSA-N
XLogP1.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine?
The IUPAC name of 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine (CID 56621026) is 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine.
What is the SMILES notation for 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine?
The canonical SMILES for 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine is CNN(C)c1nsc2ccccc12.
What is the InChIKey of 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine?
The InChIKey is IBMXVQPABYJUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-10-12(2)9-7-5-3-4-6-8(7)13-11-9/h3-6,10H,1-2H3.
What are the key properties of 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine?
1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine has a molecular weight of 193.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzothiazol-3-yl)-1,2-dimethylhydrazine is sourced from PubChem (CID 56621026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).