6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole

C17H18N4OS — CID 24803238

IUPAC6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1
InChIInChI=1S/C17H18N4OS/c1-22-13-3-4-14-15(10-13)23-17(20-14)12-2-5-16(19-11-12)21-8-6-18-7-9-21/h2-5,10-11,18H,6-9H2,1H3
InChIKeyIFZDIINGBKORKW-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.78
Rot. Bonds3

About 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole

6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole (PubChem CID 24803238) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole
PubChem CID24803238
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole
SMILESCOc1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1
InChIInChI=1S/C17H18N4OS/c1-22-13-3-4-14-15(10-13)23-17(20-14)12-2-5-16(19-11-12)21-8-6-18-7-9-21/h2-5,10-11,18H,6-9H2,1H3
InChIKeyIFZDIINGBKORKW-UHFFFAOYSA-N
XLogP2.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-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 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole (CID 24803238) is 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole is COc1ccc2nc(-c3ccc(N4CCNCC4)nc3)sc2c1.
What is the InChIKey of 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole?
The InChIKey is IFZDIINGBKORKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-22-13-3-4-14-15(10-13)23-17(20-14)12-2-5-16(19-11-12)21-8-6-18-7-9-21/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole?
6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole has a molecular weight of 326.43 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole is sourced from PubChem (CID 24803238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).