6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione

C12H17N3O3S — CID 106383723

IUPAC6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1csc(=O)[nH]1
InChIInChI=1S/C12H17N3O3S/c1-4-8-9(16)14-12(2,3)10(17)15(8)5-7-6-19-11(18)13-7/h6,8H,4-5H2,1-3H3,(H,13,18)(H,14,16)
InChIKeyIXBHBOQJOIMBHK-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.45
Rot. Bonds3

About 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione

6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione (PubChem CID 106383723) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
PubChem CID106383723
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1csc(=O)[nH]1
InChIInChI=1S/C12H17N3O3S/c1-4-8-9(16)14-12(2,3)10(17)15(8)5-7-6-19-11(18)13-7/h6,8H,4-5H2,1-3H3,(H,13,18)(H,14,16)
InChIKeyIXBHBOQJOIMBHK-UHFFFAOYSA-N
XLogP0.45
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966445
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
6-ethyl-3,3-dimethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 64970881
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021
6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
CID 81174229
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171
1-[2-(5-chlorothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 106045933
1-[2-(5-bromothiophen-2-yl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 106046056
6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409299
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
CID 65096750

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione (CID 106383723) is 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1Cc1csc(=O)[nH]1.
What is the InChIKey of 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is IXBHBOQJOIMBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-4-8-9(16)14-12(2,3)10(17)15(8)5-7-6-19-11(18)13-7/h6,8H,4-5H2,1-3H3,(H,13,18)(H,14,16).
What are the key properties of 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 283.35 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 106383723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).