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

C14H21N3O2S — CID 64970882

IUPAC6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(Cc2scnc2C)C1=O
InChIInChI=1S/C14H21N3O2S/c1-4-6-10-14(19)17(11(5-2)13(18)16-10)7-12-9(3)15-8-20-12/h8,10-11H,4-7H2,1-3H3,(H,16,18)
InChIKeyMIUCQLGWXXCAPS-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.86
Rot. Bonds5

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

6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione (PubChem CID 64970882) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
PubChem CID64970882
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(Cc2scnc2C)C1=O
InChIInChI=1S/C14H21N3O2S/c1-4-6-10-14(19)17(11(5-2)13(18)16-10)7-12-9(3)15-8-20-12/h8,10-11H,4-7H2,1-3H3,(H,16,18)
InChIKeyMIUCQLGWXXCAPS-UHFFFAOYSA-N
XLogP1.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966389
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64968016
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
CID 106210830
1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
CID 64955942
3-ethyl-3-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970930
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione (CID 64970882) is 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(Cc2scnc2C)C1=O.
What is the InChIKey of 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione?
The InChIKey is MIUCQLGWXXCAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-6-10-14(19)17(11(5-2)13(18)16-10)7-12-9(3)15-8-20-12/h8,10-11H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione?
6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione has a molecular weight of 295.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64970882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).