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

C12H16N2OS — CID 155667347

IUPAC2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(C3CCNCC3)nc21
InChIInChI=1S/C12H16N2OS/c15-9-2-1-3-10-11(9)14-12(16-10)8-4-6-13-7-5-8/h8,13H,1-7H2
InChIKeyFCBNYOCYIHSTSQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.13
Rot. Bonds1

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

2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 155667347) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID155667347
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESO=C1CCCc2sc(C3CCNCC3)nc21
InChIInChI=1S/C12H16N2OS/c15-9-2-1-3-10-11(9)14-12(16-10)8-4-6-13-7-5-8/h8,13H,1-7H2
InChIKeyFCBNYOCYIHSTSQ-UHFFFAOYSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 155667347) is 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one is O=C1CCCc2sc(C3CCNCC3)nc21.
What is the InChIKey of 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is FCBNYOCYIHSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-9-2-1-3-10-11(9)14-12(16-10)8-4-6-13-7-5-8/h8,13H,1-7H2.
What are the key properties of 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 155667347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).