2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C15H22N2O2S — CID 52943742

IUPAC2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(OCCCN3CCCCC3)nc21
InChIInChI=1S/C15H22N2O2S/c18-12-6-4-7-13-14(12)16-15(20-13)19-11-5-10-17-8-2-1-3-9-17/h1-11H2
InChIKeyGJDCGVAZFUPTAV-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.92
Rot. Bonds5

About 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 52943742) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID52943742
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(OCCCN3CCCCC3)nc21
InChIInChI=1S/C15H22N2O2S/c18-12-6-4-7-13-14(12)16-15(20-13)19-11-5-10-17-8-2-1-3-9-17/h1-11H2
InChIKeyGJDCGVAZFUPTAV-UHFFFAOYSA-N
XLogP2.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 52943742) is 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one is O=C1CCCc2sc(OCCCN3CCCCC3)nc21.
What is the InChIKey of 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is GJDCGVAZFUPTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-12-6-4-7-13-14(12)16-15(20-13)19-11-5-10-17-8-2-1-3-9-17/h1-11H2.
What are the key properties of 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 294.42 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropoxy)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 52943742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).