6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

C13H19N3O2S — CID 112645008

IUPAC6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1Cc1cncs1
InChIInChI=1S/C13H19N3O2S/c1-4-13(5-2)12(18)15-9(3)11(17)16(13)7-10-6-14-8-19-10/h6,8-9H,4-5,7H2,1-3H3,(H,15,18)
InChIKeyCJJUOIKCRYMVJO-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.55
Rot. Bonds4

About 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione

6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (PubChem CID 112645008) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
PubChem CID112645008
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NC(C)C(=O)N1Cc1cncs1
InChIInChI=1S/C13H19N3O2S/c1-4-13(5-2)12(18)15-9(3)11(17)16(13)7-10-6-14-8-19-10/h6,8-9H,4-5,7H2,1-3H3,(H,15,18)
InChIKeyCJJUOIKCRYMVJO-UHFFFAOYSA-N
XLogP1.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-diethyl-3-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874506
6-cyclopropyl-3-ethyl-6-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 115979674
1-[(5-bromo-2-pyridinyl)methyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 104812693
3,3,6,6-tetramethyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112645022
6,6-diethyl-3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056364
6,6-diethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
CID 81113601
1-[(E)-3-chloroprop-2-enyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 107902012
6-methyl-3-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 112644998
1-(cyclopentylmethyl)-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64873323
6,6-diethyl-1-(3-ethylsulfonylpropyl)-3-methylpiperazine-2,5-dione
CID 65096559
1-[(4-bromothiophen-2-yl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64875485
6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 103184637

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione (CID 112645008) is 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is CCC1(CC)C(=O)NC(C)C(=O)N1Cc1cncs1.
What is the InChIKey of 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
The InChIKey is CJJUOIKCRYMVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-13(5-2)12(18)15-9(3)11(17)16(13)7-10-6-14-8-19-10/h6,8-9H,4-5,7H2,1-3H3,(H,15,18).
What are the key properties of 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione?
6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione has a molecular weight of 281.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 112645008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).