6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione

C10H13N3O2S — CID 64971193

IUPAC6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1cscn1
InChIInChI=1S/C10H13N3O2S/c1-2-8-10(15)11-3-9(14)13(8)4-7-5-16-6-12-7/h5-6,8H,2-4H2,1H3,(H,11,15)
InChIKeyVEDKLDDYETUHDY-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.38
Rot. Bonds3

About 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione

6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione (PubChem CID 64971193) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
PubChem CID64971193
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1Cc1cscn1
InChIInChI=1S/C10H13N3O2S/c1-2-8-10(15)11-3-9(14)13(8)4-7-5-16-6-12-7/h5-6,8H,2-4H2,1H3,(H,11,15)
InChIKeyVEDKLDDYETUHDY-UHFFFAOYSA-N
XLogP0.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione (CID 64971193) is 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1Cc1cscn1.
What is the InChIKey of 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is VEDKLDDYETUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-2-8-10(15)11-3-9(14)13(8)4-7-5-16-6-12-7/h5-6,8H,2-4H2,1H3,(H,11,15).
What are the key properties of 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione?
6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 239.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(1,3-thiazol-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64971193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).