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

C10H14N2O2S — CID 115646826

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)N1CCCCC1
InChIInChI=1S/C10H14N2O2S/c13-9(11-4-2-1-3-5-11)8-12-6-7-15-10(12)14/h6-7H,1-5,8H2
InChIKeyJMERTUSFAWMOHX-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.92
Rot. Bonds2

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

3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 115646826) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID115646826
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)N1CCCCC1
InChIInChI=1S/C10H14N2O2S/c13-9(11-4-2-1-3-5-11)8-12-6-7-15-10(12)14/h6-7H,1-5,8H2
InChIKeyJMERTUSFAWMOHX-UHFFFAOYSA-N
XLogP0.92
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
CID 60692214
3-[2-Oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one
CID 63312796
1-Methyl-4-(5-sulfanylpentyl)pyrazine-2,3-dione
CID 80031918
4-(2-Oxo-2-piperidin-1-ylethyl)-1,4-thiazin-3-one
CID 84405853
4-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,4-thiazin-3-one
CID 84405874
4-(2-Piperidin-1-ylethyl)-1,4-thiazin-3-one
CID 84406635
3-[2-(Azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
CID 115646818
3-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 115646863
3-(2-Piperidin-1-ylethyl)-1,3-thiazol-2-one
CID 115749765
3-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
CID 115886879

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one (CID 115646826) is 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one is O=C(Cn1ccsc1=O)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is JMERTUSFAWMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-9(11-4-2-1-3-5-11)8-12-6-7-15-10(12)14/h6-7H,1-5,8H2.
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 226.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115646826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).