4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione

C11H14N4O3S — CID 66074040

IUPAC4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H14N4O3S/c1-11(2)9(18)14-7(16)4-15(11)8(17)3-6-5-19-10(12)13-6/h5H,3-4H2,1-2H3,(H2,12,13)(H,14,16,18)
InChIKeyNPEBOGYWIXZWDU-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.47
Rot. Bonds2

About 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione

4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66074040) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66074040
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H14N4O3S/c1-11(2)9(18)14-7(16)4-15(11)8(17)3-6-5-19-10(12)13-6/h5H,3-4H2,1-2H3,(H2,12,13)(H,14,16,18)
InChIKeyNPEBOGYWIXZWDU-UHFFFAOYSA-N
XLogP-0.47
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.47
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 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione (CID 66074040) is 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)Cc1csc(N)n1.
What is the InChIKey of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is NPEBOGYWIXZWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-11(2)9(18)14-7(16)4-15(11)8(17)3-6-5-19-10(12)13-6/h5H,3-4H2,1-2H3,(H2,12,13)(H,14,16,18).
What are the key properties of 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione?
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 282.32 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66074040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).