3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione

C14H21N3O2S — CID 64972721

IUPAC3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
SMILESCCC(c1nccs1)N1CC(=O)NC(CC)(CC)C1=O
InChIInChI=1S/C14H21N3O2S/c1-4-10(12-15-7-8-20-12)17-9-11(18)16-14(5-2,6-3)13(17)19/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyHCBPMQLTNMHOEK-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.11
Rot. Bonds5

About 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione

3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione (PubChem CID 64972721) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
PubChem CID64972721
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
SMILESCCC(c1nccs1)N1CC(=O)NC(CC)(CC)C1=O
InChIInChI=1S/C14H21N3O2S/c1-4-10(12-15-7-8-20-12)17-9-11(18)16-14(5-2,6-3)13(17)19/h7-8,10H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyHCBPMQLTNMHOEK-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione (CID 64972721) is 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione is CCC(c1nccs1)N1CC(=O)NC(CC)(CC)C1=O.
What is the InChIKey of 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione?
The InChIKey is HCBPMQLTNMHOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-4-10(12-15-7-8-20-12)17-9-11(18)16-14(5-2,6-3)13(17)19/h7-8,10H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione?
3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione has a molecular weight of 295.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 64972721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).