3-piperazin-1-yl-1,2-benzothiazole 1-oxide

C11H13N3OS — CID 15698633

IUPAC3-piperazin-1-yl-1,2-benzothiazole 1-oxide
SMILESO=S1N=C(N2CCNCC2)c2ccccc21
InChIInChI=1S/C11H13N3OS/c15-16-10-4-2-1-3-9(10)11(13-16)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyMOBIZCKXBZKGFC-UHFFFAOYSA-N
MW235.31 g/mol
LogP0.37
Rot. Bonds

About 3-piperazin-1-yl-1,2-benzothiazole 1-oxide

3-piperazin-1-yl-1,2-benzothiazole 1-oxide (PubChem CID 15698633) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-piperazin-1-yl-1,2-benzothiazole 1-oxide.

Molecular Properties

Compound Name3-piperazin-1-yl-1,2-benzothiazole 1-oxide
PubChem CID15698633
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-piperazin-1-yl-1,2-benzothiazole 1-oxide
SMILESO=S1N=C(N2CCNCC2)c2ccccc21
InChIInChI=1S/C11H13N3OS/c15-16-10-4-2-1-3-9(10)11(13-16)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyMOBIZCKXBZKGFC-UHFFFAOYSA-N
XLogP0.37
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-1,2-benzothiazole 1-oxide?
The IUPAC name of 3-piperazin-1-yl-1,2-benzothiazole 1-oxide (CID 15698633) is 3-piperazin-1-yl-1,2-benzothiazole 1-oxide.
What is the SMILES notation for 3-piperazin-1-yl-1,2-benzothiazole 1-oxide?
The canonical SMILES for 3-piperazin-1-yl-1,2-benzothiazole 1-oxide is O=S1N=C(N2CCNCC2)c2ccccc21.
What is the InChIKey of 3-piperazin-1-yl-1,2-benzothiazole 1-oxide?
The InChIKey is MOBIZCKXBZKGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c15-16-10-4-2-1-3-9(10)11(13-16)14-7-5-12-6-8-14/h1-4,12H,5-8H2.
What are the key properties of 3-piperazin-1-yl-1,2-benzothiazole 1-oxide?
3-piperazin-1-yl-1,2-benzothiazole 1-oxide has a molecular weight of 235.31 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-1,2-benzothiazole 1-oxide is sourced from PubChem (CID 15698633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).