5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one

C12H12ClN3OS — CID 55231683

IUPAC5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2nc3cccc(Cl)c3s2)CN1
InChIInChI=1S/C12H12ClN3OS/c13-8-2-1-3-9-11(8)18-12(16-9)15-7-4-5-10(17)14-6-7/h1-3,7H,4-6H2,(H,14,17)(H,15,16)
InChIKeyQWOKEKSSFRDRME-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.64
Rot. Bonds2

About 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one

5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one (PubChem CID 55231683) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one
PubChem CID55231683
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2nc3cccc(Cl)c3s2)CN1
InChIInChI=1S/C12H12ClN3OS/c13-8-2-1-3-9-11(8)18-12(16-9)15-7-4-5-10(17)14-6-7/h1-3,7H,4-6H2,(H,14,17)(H,15,16)
InChIKeyQWOKEKSSFRDRME-UHFFFAOYSA-N
XLogP2.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one (CID 55231683) is 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one is O=C1CCC(Nc2nc3cccc(Cl)c3s2)CN1.
What is the InChIKey of 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one?
The InChIKey is QWOKEKSSFRDRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-8-2-1-3-9-11(8)18-12(16-9)15-7-4-5-10(17)14-6-7/h1-3,7H,4-6H2,(H,14,17)(H,15,16).
What are the key properties of 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one?
5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one has a molecular weight of 281.77 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloro-1,3-benzothiazol-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 55231683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).