2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole

C15H24N2OS — CID 52949835

IUPAC2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESC1CCN(CCCOc2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C15H24N2OS/c1-4-9-17(10-5-1)11-6-12-18-15-16-13-7-2-3-8-14(13)19-15/h1-12H2
InChIKeyCWFUYQIOUPGTKY-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.28
Rot. Bonds5

About 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole

2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 52949835) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID52949835
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESC1CCN(CCCOc2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C15H24N2OS/c1-4-9-17(10-5-1)11-6-12-18-15-16-13-7-2-3-8-14(13)19-15/h1-12H2
InChIKeyCWFUYQIOUPGTKY-UHFFFAOYSA-N
XLogP3.28
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-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 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 52949835) is 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole is C1CCN(CCCOc2nc3c(s2)CCCC3)CC1.
What is the InChIKey of 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is CWFUYQIOUPGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-9-17(10-5-1)11-6-12-18-15-16-13-7-2-3-8-14(13)19-15/h1-12H2.
What are the key properties of 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole?
2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 280.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropoxy)-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 52949835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).