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

C12H18N4O2S — CID 79941670

IUPAC1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione
SMILESCCNc1ncc(CN2CC(=O)N(CC)CC2=O)s1
InChIInChI=1S/C12H18N4O2S/c1-3-13-12-14-5-9(19-12)6-16-8-10(17)15(4-2)7-11(16)18/h5H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeyWQJGDFFLPIVDEM-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.77
Rot. Bonds5

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

1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione (PubChem CID 79941670) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione
PubChem CID79941670
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione
SMILESCCNc1ncc(CN2CC(=O)N(CC)CC2=O)s1
InChIInChI=1S/C12H18N4O2S/c1-3-13-12-14-5-9(19-12)6-16-8-10(17)15(4-2)7-11(16)18/h5H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeyWQJGDFFLPIVDEM-UHFFFAOYSA-N
XLogP0.77
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
CID 104512655
4-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]morpholin-3-one
CID 79775133
5-[(4-tert-butylpiperazin-1-yl)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79772417
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79775113
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 79761288
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-2,6-dimethylpyrimidin-4-one
CID 79774469
5-bromo-1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyridin-2-one
CID 79774454
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772491
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772211
N-ethyl-5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 79774939
methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771450
2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399548

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione?
The IUPAC name of 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione (CID 79941670) is 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione.
What is the SMILES notation for 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione?
The canonical SMILES for 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione is CCNc1ncc(CN2CC(=O)N(CC)CC2=O)s1.
What is the InChIKey of 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione?
The InChIKey is WQJGDFFLPIVDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-13-12-14-5-9(19-12)6-16-8-10(17)15(4-2)7-11(16)18/h5H,3-4,6-8H2,1-2H3,(H,13,14).
What are the key properties of 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione?
1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione has a molecular weight of 282.37 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]piperazine-2,5-dione is sourced from PubChem (CID 79941670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).