3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

C12H17N3O3S — CID 63600833

IUPAC3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H17N3O3S/c1-3-9-11(17)13-4-5-14(9)10(16)6-15-8(2)7-19-12(15)18/h7,9H,3-6H2,1-2H3,(H,13,17)
InChIKeyJAMURHSSQUSIBJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.04
Rot. Bonds3

About 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 63600833) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID63600833
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H17N3O3S/c1-3-9-11(17)13-4-5-14(9)10(16)6-15-8(2)7-19-12(15)18/h7,9H,3-6H2,1-2H3,(H,13,17)
InChIKeyJAMURHSSQUSIBJ-UHFFFAOYSA-N
XLogP-0.04
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 63600820
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
CID 110025296
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
3-ethyl-4-[2-(propan-2-ylamino)acetyl]piperazin-2-one
CID 63602812
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43171077

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (CID 63600833) is 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is CCC1C(=O)NCCN1C(=O)Cn1c(C)csc1=O.
What is the InChIKey of 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is JAMURHSSQUSIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-9-11(17)13-4-5-14(9)10(16)6-15-8(2)7-19-12(15)18/h7,9H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 283.35 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 63600833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).