2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one

C12H16N2OS — CID 616821

IUPAC2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(N3CCCCC3)sc21
InChIInChI=1S/C12H16N2OS/c15-10-6-4-5-9-11(10)16-12(13-9)14-7-2-1-3-8-14/h1-8H2
InChIKeyWKSFZARTVKRYDQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.65
Rot. Bonds1

About 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 616821) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID616821
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(N3CCCCC3)sc21
InChIInChI=1S/C12H16N2OS/c15-10-6-4-5-9-11(10)16-12(13-9)14-7-2-1-3-8-14/h1-8H2
InChIKeyWKSFZARTVKRYDQ-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 616821) is 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one is O=C1CCCc2nc(N3CCCCC3)sc21.
What is the InChIKey of 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is WKSFZARTVKRYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-10-6-4-5-9-11(10)16-12(13-9)14-7-2-1-3-8-14/h1-8H2.
What are the key properties of 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 236.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 616821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).