3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione

C12H18N4O2S — CID 66075606

IUPAC3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
SMILESCNC(C)c1csc(N2CC(=O)NC(=O)C2(C)C)n1
InChIInChI=1S/C12H18N4O2S/c1-7(13-4)8-6-19-11(14-8)16-5-9(17)15-10(18)12(16,2)3/h6-7,13H,5H2,1-4H3,(H,15,17,18)
InChIKeyIUNJRZFGMKLFRT-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.66
Rot. Bonds3

About 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione

3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione (PubChem CID 66075606) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
PubChem CID66075606
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
SMILESCNC(C)c1csc(N2CC(=O)NC(=O)C2(C)C)n1
InChIInChI=1S/C12H18N4O2S/c1-7(13-4)8-6-19-11(14-8)16-5-9(17)15-10(18)12(16,2)3/h6-7,13H,5H2,1-4H3,(H,15,17,18)
InChIKeyIUNJRZFGMKLFRT-UHFFFAOYSA-N
XLogP0.66
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione?
The IUPAC name of 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione (CID 66075606) is 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione?
The canonical SMILES for 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione is CNC(C)c1csc(N2CC(=O)NC(=O)C2(C)C)n1.
What is the InChIKey of 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione?
The InChIKey is IUNJRZFGMKLFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7(13-4)8-6-19-11(14-8)16-5-9(17)15-10(18)12(16,2)3/h6-7,13H,5H2,1-4H3,(H,15,17,18).
What are the key properties of 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione?
3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione has a molecular weight of 282.37 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 66075606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).