3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione

C15H23N3O2S — CID 64972686

IUPAC3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
SMILESCCC(c1nccs1)N1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C15H23N3O2S/c1-6-10(13-16-7-8-21-13)18-9(2)12(19)17-11(14(18)20)15(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)
InChIKeyMVUCQHYWQUNMGB-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.36
Rot. Bonds3

About 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione

3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione (PubChem CID 64972686) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
PubChem CID64972686
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
SMILESCCC(c1nccs1)N1C(=O)C(C(C)(C)C)NC(=O)C1C
InChIInChI=1S/C15H23N3O2S/c1-6-10(13-16-7-8-21-13)18-9(2)12(19)17-11(14(18)20)15(3,4)5/h7-11H,6H2,1-5H3,(H,17,19)
InChIKeyMVUCQHYWQUNMGB-UHFFFAOYSA-N
XLogP2.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-diethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973279
3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
CID 64902648
3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione
CID 64967667
2-[1-(5-cyclopropyl-2,5-dimethylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64942052
2-[1-(1,3-thiazol-2-yl)propyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79917965
3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
CID 64902838
3,3-diethyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione
CID 64972721
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
1-[1-(1,3-thiazol-2-yl)propyl]piperidine-2,4-dione
CID 79515797
3-tert-butyl-6-methyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64900733
4-hydroxy-6-oxo-1-[1-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxylic acid
CID 114207510
6-chloro-5-ethyl-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
CID 113404202

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione (CID 64972686) is 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione is CCC(c1nccs1)N1C(=O)C(C(C)(C)C)NC(=O)C1C.
What is the InChIKey of 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione?
The InChIKey is MVUCQHYWQUNMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-6-10(13-16-7-8-21-13)18-9(2)12(19)17-11(14(18)20)15(3,4)5/h7-11H,6H2,1-5H3,(H,17,19).
What are the key properties of 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione has a molecular weight of 309.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-[1-(1,3-thiazol-2-yl)propyl]piperazine-2,5-dione is sourced from PubChem (CID 64972686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).