3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione

C14H21N3O2S — CID 106045774

IUPAC3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCc1nc(CCN2CC(=O)NC(C(C)(C)C)C2=O)cs1
InChIInChI=1S/C14H21N3O2S/c1-9-15-10(8-20-9)5-6-17-7-11(18)16-12(13(17)19)14(2,3)4/h8,12H,5-7H2,1-4H3,(H,16,18)
InChIKeyRDAXVGUIFOKOIX-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.37
Rot. Bonds3

About 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione

3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (PubChem CID 106045774) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
PubChem CID106045774
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
SMILESCc1nc(CCN2CC(=O)NC(C(C)(C)C)C2=O)cs1
InChIInChI=1S/C14H21N3O2S/c1-9-15-10(8-20-9)5-6-17-7-11(18)16-12(13(17)19)14(2,3)4/h8,12H,5-7H2,1-4H3,(H,16,18)
InChIKeyRDAXVGUIFOKOIX-UHFFFAOYSA-N
XLogP1.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045871
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966457
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422050
3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64964726
3-tert-butyl-1-but-3-ynylpiperazine-2,5-dione
CID 64972437
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione
CID 64878866
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64966350
3-tert-butyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702110
3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 65244363
10-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 106045858

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione (CID 106045774) is 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is Cc1nc(CCN2CC(=O)NC(C(C)(C)C)C2=O)cs1.
What is the InChIKey of 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
The InChIKey is RDAXVGUIFOKOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-15-10(8-20-9)5-6-17-7-11(18)16-12(13(17)19)14(2,3)4/h8,12H,5-7H2,1-4H3,(H,16,18).
What are the key properties of 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione?
3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione has a molecular weight of 295.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106045774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).