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

C12H15N3OS — CID 15169803

IUPAC4-methoxy-3-piperazin-1-yl-1,2-benzothiazole
SMILESCOc1cccc2snc(N3CCNCC3)c12
InChIInChI=1S/C12H15N3OS/c1-16-9-3-2-4-10-11(9)12(14-17-10)15-7-5-13-6-8-15/h2-4,13H,5-8H2,1H3
InChIKeyQKFUBSAOOVBJKU-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.71
Rot. Bonds2

About 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole

4-methoxy-3-piperazin-1-yl-1,2-benzothiazole (PubChem CID 15169803) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole.

Molecular Properties

Compound Name4-methoxy-3-piperazin-1-yl-1,2-benzothiazole
PubChem CID15169803
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-methoxy-3-piperazin-1-yl-1,2-benzothiazole
SMILESCOc1cccc2snc(N3CCNCC3)c12
InChIInChI=1S/C12H15N3OS/c1-16-9-3-2-4-10-11(9)12(14-17-10)15-7-5-13-6-8-15/h2-4,13H,5-8H2,1H3
InChIKeyQKFUBSAOOVBJKU-UHFFFAOYSA-N
XLogP1.71
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole?
The IUPAC name of 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole (CID 15169803) is 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole.
What is the SMILES notation for 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole?
The canonical SMILES for 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole is COc1cccc2snc(N3CCNCC3)c12.
What is the InChIKey of 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole?
The InChIKey is QKFUBSAOOVBJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-16-9-3-2-4-10-11(9)12(14-17-10)15-7-5-13-6-8-15/h2-4,13H,5-8H2,1H3.
What are the key properties of 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole?
4-methoxy-3-piperazin-1-yl-1,2-benzothiazole has a molecular weight of 249.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-piperazin-1-yl-1,2-benzothiazole is sourced from PubChem (CID 15169803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).