3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one

C9H13N3O2S — CID 63312403

IUPAC3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)N1CCNCC1
InChIInChI=1S/C9H13N3O2S/c13-8(11-3-1-10-2-4-11)7-12-5-6-15-9(12)14/h5-6,10H,1-4,7H2
InChIKeyZMMWCYXELFKUIK-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.66
Rot. Bonds2

About 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one

3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 63312403) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID63312403
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)N1CCNCC1
InChIInChI=1S/C9H13N3O2S/c13-8(11-3-1-10-2-4-11)7-12-5-6-15-9(12)14/h5-6,10H,1-4,7H2
InChIKeyZMMWCYXELFKUIK-UHFFFAOYSA-N
XLogP-0.66
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one (CID 63312403) is 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one is O=C(Cn1ccsc1=O)N1CCNCC1.
What is the InChIKey of 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is ZMMWCYXELFKUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-8(11-3-1-10-2-4-11)7-12-5-6-15-9(12)14/h5-6,10H,1-4,7H2.
What are the key properties of 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one?
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 227.29 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperazin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).