3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one

C13H18N4OS — CID 62092113

IUPAC3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one
SMILESCc1cn2c(CNC3CCCNC3=O)c(C)nc2s1
InChIInChI=1S/C13H18N4OS/c1-8-7-17-11(9(2)16-13(17)19-8)6-15-10-4-3-5-14-12(10)18/h7,10,15H,3-6H2,1-2H3,(H,14,18)
InChIKeyTUMOZONBHLWEHL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.38
Rot. Bonds3

About 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one

3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one (PubChem CID 62092113) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one
PubChem CID62092113
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one
SMILESCc1cn2c(CNC3CCCNC3=O)c(C)nc2s1
InChIInChI=1S/C13H18N4OS/c1-8-7-17-11(9(2)16-13(17)19-8)6-15-10-4-3-5-14-12(10)18/h7,10,15H,3-6H2,1-2H3,(H,14,18)
InChIKeyTUMOZONBHLWEHL-UHFFFAOYSA-N
XLogP1.38
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one (CID 62092113) is 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one is Cc1cn2c(CNC3CCCNC3=O)c(C)nc2s1.
What is the InChIKey of 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one?
The InChIKey is TUMOZONBHLWEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-7-17-11(9(2)16-13(17)19-8)6-15-10-4-3-5-14-12(10)18/h7,10,15H,3-6H2,1-2H3,(H,14,18).
What are the key properties of 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one?
3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one has a molecular weight of 278.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 62092113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).