3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one

C10H12N2O3S — CID 63312796

IUPAC3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESO=C1CCN(C(=O)Cn2ccsc2=O)CC1
InChIInChI=1S/C10H12N2O3S/c13-8-1-3-11(4-2-8)9(14)7-12-5-6-16-10(12)15/h5-6H,1-4,7H2
InChIKeyJFYKEPVTDKIPMM-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.10
Rot. Bonds2

About 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one

3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one (PubChem CID 63312796) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one
PubChem CID63312796
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one
SMILESO=C1CCN(C(=O)Cn2ccsc2=O)CC1
InChIInChI=1S/C10H12N2O3S/c13-8-1-3-11(4-2-8)9(14)7-12-5-6-16-10(12)15/h5-6H,1-4,7H2
InChIKeyJFYKEPVTDKIPMM-UHFFFAOYSA-N
XLogP0.10
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.10
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-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one (CID 63312796) is 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one is O=C1CCN(C(=O)Cn2ccsc2=O)CC1.
What is the InChIKey of 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one?
The InChIKey is JFYKEPVTDKIPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-8-1-3-11(4-2-8)9(14)7-12-5-6-16-10(12)15/h5-6H,1-4,7H2.
What are the key properties of 3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one?
3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one has a molecular weight of 240.28 g/mol, XLogP of 0.10, 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-(4-oxopiperidin-1-yl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).