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

C9H12N2O2S — CID 115646863

IUPAC3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)N1CCCC1
InChIInChI=1S/C9H12N2O2S/c12-8(10-3-1-2-4-10)7-11-5-6-14-9(11)13/h5-6H,1-4,7H2
InChIKeyGHJZPASILMRATH-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.53
Rot. Bonds2

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

3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 115646863) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID115646863
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
SMILESO=C(Cn1ccsc1=O)N1CCCC1
InChIInChI=1S/C9H12N2O2S/c12-8(10-3-1-2-4-10)7-11-5-6-14-9(11)13/h5-6H,1-4,7H2
InChIKeyGHJZPASILMRATH-UHFFFAOYSA-N
XLogP0.53
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 123391370
4-Methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 60664993
N-(2-cyanoethyl)-N-methyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 63312699
4-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,4-thiazin-3-one
CID 84405874
4-(2-Pyrrolidin-1-ylethyl)-1,4-thiazin-3-one
CID 84406579
3-(2-Oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
CID 115646826
N,N-diethyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
CID 115646837
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
3-(2-Pyrrolidin-1-ylethyl)-1,3-thiazol-2-one
CID 116622641
3-[2-(Azetidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-one
CID 131038260

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one (CID 115646863) is 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is O=C(Cn1ccsc1=O)N1CCCC1.
What is the InChIKey of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is GHJZPASILMRATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(10-3-1-2-4-10)7-11-5-6-14-9(11)13/h5-6H,1-4,7H2.
What are the key properties of 3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one?
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 212.27 g/mol, XLogP of 0.53, 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-pyrrolidin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115646863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).