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

C15H23N3O2S — CID 64970533

IUPAC6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCc2nc(C)cs2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-4-6-11-15(20)18(12(5-2)14(19)17-11)8-7-13-16-10(3)9-21-13/h9,11-12H,4-8H2,1-3H3,(H,17,19)
InChIKeyWESYZQKXWJLKGQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.90
Rot. Bonds6

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

6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 64970533) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID64970533
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCc2nc(C)cs2)C1=O
InChIInChI=1S/C15H23N3O2S/c1-4-6-11-15(20)18(12(5-2)14(19)17-11)8-7-13-16-10(3)9-21-13/h9,11-12H,4-8H2,1-3H3,(H,17,19)
InChIKeyWESYZQKXWJLKGQ-UHFFFAOYSA-N
XLogP1.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-diethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-2,5-dione
CID 64966389
6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 106409675
3-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970556
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64970882
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
3-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 43320524
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
6-ethyl-3-propyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64873555
6-ethyl-3-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970456
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
6-ethyl-3-propyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432992

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione (CID 64970533) is 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(CCc2nc(C)cs2)C1=O.
What is the InChIKey of 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is WESYZQKXWJLKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-4-6-11-15(20)18(12(5-2)14(19)17-11)8-7-13-16-10(3)9-21-13/h9,11-12H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 309.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64970533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).