3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H17N3O2S — CID 16867716

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(CC1CSc2nccc(=O)n21)N1CCCCC1
InChIInChI=1S/C13H17N3O2S/c17-11-4-5-14-13-16(11)10(9-19-13)8-12(18)15-6-2-1-3-7-15/h4-5,10H,1-3,6-9H2
InChIKeyDUGIIWBWYGYSFJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.29
Rot. Bonds2

About 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 16867716) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID16867716
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(CC1CSc2nccc(=O)n21)N1CCCCC1
InChIInChI=1S/C13H17N3O2S/c17-11-4-5-14-13-16(11)10(9-19-13)8-12(18)15-6-2-1-3-7-15/h4-5,10H,1-3,6-9H2
InChIKeyDUGIIWBWYGYSFJ-UHFFFAOYSA-N
XLogP1.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 16867716) is 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(CC1CSc2nccc(=O)n21)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DUGIIWBWYGYSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-11-4-5-14-13-16(11)10(9-19-13)8-12(18)15-6-2-1-3-7-15/h4-5,10H,1-3,6-9H2.
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 279.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 16867716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).