3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

C13H19N3O2S — CID 64970385

IUPAC3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCc2nccs2)C1=O
InChIInChI=1S/C13H19N3O2S/c1-3-9(2)12-13(18)16(8-10(17)15-12)6-4-11-14-5-7-19-11/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,15,17)
InChIKeyAWFJUZWQEIIZLD-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.06
Rot. Bonds5

About 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione

3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64970385) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64970385
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCc2nccs2)C1=O
InChIInChI=1S/C13H19N3O2S/c1-3-9(2)12-13(18)16(8-10(17)15-12)6-4-11-14-5-7-19-11/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,15,17)
InChIKeyAWFJUZWQEIIZLD-UHFFFAOYSA-N
XLogP1.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione with MolForge

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Related Compounds

3-phenyl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970395
3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881503
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
CID 114516865
3-butan-2-yl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64878609
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422027
3-butan-2-yl-1-but-3-ynylpiperazine-2,5-dione
CID 64972451
3-methyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64966359
3-butan-2-yl-1-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 82748760
4-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,6-dione
CID 63788562

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione (CID 64970385) is 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is CCC(C)C1NC(=O)CN(CCc2nccs2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is AWFJUZWQEIIZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-3-9(2)12-13(18)16(8-10(17)15-12)6-4-11-14-5-7-19-11/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,15,17).
What are the key properties of 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione?
3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 281.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64970385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).