6-piperazin-1-yl-1,2-benzothiazole

C11H13N3S — CID 82615929

IUPAC6-piperazin-1-yl-1,2-benzothiazole
SMILESc1cc2cnsc2cc1N1CCNCC1
InChIInChI=1S/C11H13N3S/c1-2-10(14-5-3-12-4-6-14)7-11-9(1)8-13-15-11/h1-2,7-8,12H,3-6H2
InChIKeyFXNLNOLMMYQYBG-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.71
Rot. Bonds1

About 6-piperazin-1-yl-1,2-benzothiazole

6-piperazin-1-yl-1,2-benzothiazole (PubChem CID 82615929) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-piperazin-1-yl-1,2-benzothiazole.

Molecular Properties

Compound Name6-piperazin-1-yl-1,2-benzothiazole
PubChem CID82615929
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name6-piperazin-1-yl-1,2-benzothiazole
SMILESc1cc2cnsc2cc1N1CCNCC1
InChIInChI=1S/C11H13N3S/c1-2-10(14-5-3-12-4-6-14)7-11-9(1)8-13-15-11/h1-2,7-8,12H,3-6H2
InChIKeyFXNLNOLMMYQYBG-UHFFFAOYSA-N
XLogP1.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-1,2-benzothiazole?
The IUPAC name of 6-piperazin-1-yl-1,2-benzothiazole (CID 82615929) is 6-piperazin-1-yl-1,2-benzothiazole.
What is the SMILES notation for 6-piperazin-1-yl-1,2-benzothiazole?
The canonical SMILES for 6-piperazin-1-yl-1,2-benzothiazole is c1cc2cnsc2cc1N1CCNCC1.
What is the InChIKey of 6-piperazin-1-yl-1,2-benzothiazole?
The InChIKey is FXNLNOLMMYQYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-10(14-5-3-12-4-6-14)7-11-9(1)8-13-15-11/h1-2,7-8,12H,3-6H2.
What are the key properties of 6-piperazin-1-yl-1,2-benzothiazole?
6-piperazin-1-yl-1,2-benzothiazole has a molecular weight of 219.31 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-1,2-benzothiazole is sourced from PubChem (CID 82615929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).