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

C12H15N3OS — CID 15169804

IUPAC5-methoxy-3-piperazin-1-yl-1,2-benzothiazole
SMILESCOc1ccc2snc(N3CCNCC3)c2c1
InChIInChI=1S/C12H15N3OS/c1-16-9-2-3-11-10(8-9)12(14-17-11)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKeyMLIHAILNQREVLG-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.71
Rot. Bonds2

About 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole

5-methoxy-3-piperazin-1-yl-1,2-benzothiazole (PubChem CID 15169804) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole.

Molecular Properties

Compound Name5-methoxy-3-piperazin-1-yl-1,2-benzothiazole
PubChem CID15169804
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-methoxy-3-piperazin-1-yl-1,2-benzothiazole
SMILESCOc1ccc2snc(N3CCNCC3)c2c1
InChIInChI=1S/C12H15N3OS/c1-16-9-2-3-11-10(8-9)12(14-17-11)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3
InChIKeyMLIHAILNQREVLG-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

Analyze 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole?
The IUPAC name of 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole (CID 15169804) is 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole.
What is the SMILES notation for 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole?
The canonical SMILES for 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole is COc1ccc2snc(N3CCNCC3)c2c1.
What is the InChIKey of 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole?
The InChIKey is MLIHAILNQREVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-16-9-2-3-11-10(8-9)12(14-17-11)15-6-4-13-5-7-15/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole?
5-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 5-methoxy-3-piperazin-1-yl-1,2-benzothiazole is sourced from PubChem (CID 15169804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).