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

C13H19N3O2S — CID 64966445

IUPAC6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1csc(C)n1
InChIInChI=1S/C13H19N3O2S/c1-5-10-11(17)15-13(3,4)12(18)16(10)6-9-7-19-8(2)14-9/h7,10H,5-6H2,1-4H3,(H,15,17)
InChIKeyPXSRAWSGDTWQRE-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.47
Rot. Bonds3

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

6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione (PubChem CID 64966445) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
PubChem CID64966445
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1csc(C)n1
InChIInChI=1S/C13H19N3O2S/c1-5-10-11(17)15-13(3,4)12(18)16(10)6-9-7-19-8(2)14-9/h7,10H,5-6H2,1-4H3,(H,15,17)
InChIKeyPXSRAWSGDTWQRE-UHFFFAOYSA-N
XLogP1.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-ethyl-3,3-dimethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 64970881
6-ethyl-3,3-dimethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 106383723
6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
CID 81174229
6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409299
6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 114140334
5,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112599943
5-(methoxymethyl)-5-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 146084367
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
6-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 64969999
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 66394905
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64966326
6-butan-2-yl-3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979661

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione (CID 64966445) is 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1Cc1csc(C)n1.
What is the InChIKey of 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is PXSRAWSGDTWQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-5-10-11(17)15-13(3,4)12(18)16(10)6-9-7-19-8(2)14-9/h7,10H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione?
6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 281.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64966445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).