3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one

C8H10N2O2S — CID 131038260

IUPAC3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)N1CCC1
InChIInChI=1S/C8H10N2O2S/c11-7(9-2-1-3-9)6-10-4-5-13-8(10)12/h4-5H,1-3,6H2
InChIKeyAOWZMACWGUAHPF-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.14
Rot. Bonds2

About 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one

3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one (PubChem CID 131038260) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
PubChem CID131038260
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)N1CCC1
InChIInChI=1S/C8H10N2O2S/c11-7(9-2-1-3-9)6-10-4-5-13-8(10)12/h4-5H,1-3,6H2
InChIKeyAOWZMACWGUAHPF-UHFFFAOYSA-N
XLogP0.14
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312699
N,N-diethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646837
N-cyclopropyl-N-ethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646843
3-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 115646863
N-cyclopropyl-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646885
N-ethyl-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115659260
N-methyl-2-(2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
CID 115659305

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one (CID 131038260) is 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one is O=C(Cn1ccsc1=O)N1CCC1.
What is the InChIKey of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
The InChIKey is AOWZMACWGUAHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-7(9-2-1-3-9)6-10-4-5-13-8(10)12/h4-5H,1-3,6H2.
What are the key properties of 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one?
3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one has a molecular weight of 198.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 131038260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).