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

C11H13N3S — CID 592122

IUPAC2-piperazin-1-yl-1,3-benzothiazole
SMILESc1ccc2sc(N3CCNCC3)nc2c1
InChIInChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyLLQMZXMBCQNMJV-UHFFFAOYSA-N
MW219.31 g/mol
LogP1.71
Rot. Bonds1

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

2-piperazin-1-yl-1,3-benzothiazole (PubChem CID 592122) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-piperazin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-1,3-benzothiazole
PubChem CID592122
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-piperazin-1-yl-1,3-benzothiazole
SMILESc1ccc2sc(N3CCNCC3)nc2c1
InChIInChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
InChIKeyLLQMZXMBCQNMJV-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 2-piperazin-1-yl-1,3-benzothiazole?
The IUPAC name of 2-piperazin-1-yl-1,3-benzothiazole (CID 592122) is 2-piperazin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 2-piperazin-1-yl-1,3-benzothiazole?
The canonical SMILES for 2-piperazin-1-yl-1,3-benzothiazole is c1ccc2sc(N3CCNCC3)nc2c1.
What is the InChIKey of 2-piperazin-1-yl-1,3-benzothiazole?
The InChIKey is LLQMZXMBCQNMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2.
What are the key properties of 2-piperazin-1-yl-1,3-benzothiazole?
2-piperazin-1-yl-1,3-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 2-piperazin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 592122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).