3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one

C12H17N3O2S — CID 63600820

IUPAC3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C12H17N3O2S/c1-3-10-12(17)13-4-5-15(10)11(16)6-9-7-18-8(2)14-9/h7,10H,3-6H2,1-2H3,(H,13,17)
InChIKeyIHWCVWRPZGEMRE-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.73
Rot. Bonds3

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

3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one (PubChem CID 63600820) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
PubChem CID63600820
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1csc(C)n1
InChIInChI=1S/C12H17N3O2S/c1-3-10-12(17)13-4-5-15(10)11(16)6-9-7-18-8(2)14-9/h7,10H,3-6H2,1-2H3,(H,13,17)
InChIKeyIHWCVWRPZGEMRE-UHFFFAOYSA-N
XLogP0.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 63600833
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
(1S,4S)-5-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 154566868
4-[2-(2,6-dichlorophenyl)acetyl]-3-ethylpiperazin-2-one
CID 63602232
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
4-(2-chloro-6-methylpyridine-4-carbonyl)-3-ethylpiperazin-2-one
CID 113378431
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one (CID 63600820) is 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)Cc1csc(C)n1.
What is the InChIKey of 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
The InChIKey is IHWCVWRPZGEMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-10-12(17)13-4-5-15(10)11(16)6-9-7-18-8(2)14-9/h7,10H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one?
3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one has a molecular weight of 267.35 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 63600820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).