4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione

C10H11N3O4S — CID 66085149

IUPAC4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione
SMILESCc1csc(=O)n1CC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H11N3O4S/c1-6-5-18-10(17)13(6)4-9(16)12-2-7(14)11-8(15)3-12/h5H,2-4H2,1H3,(H,11,14,15)
InChIKeyAIHDWBNWIGKNRN-UHFFFAOYSA-N
MW269.28 g/mol
LogP-1.30
Rot. Bonds2

About 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione

4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione (PubChem CID 66085149) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione
PubChem CID66085149
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione
SMILESCc1csc(=O)n1CC(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H11N3O4S/c1-6-5-18-10(17)13(6)4-9(16)12-2-7(14)11-8(15)3-12/h5H,2-4H2,1H3,(H,11,14,15)
InChIKeyAIHDWBNWIGKNRN-UHFFFAOYSA-N
XLogP-1.30
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
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-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione (CID 66085149) is 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione is Cc1csc(=O)n1CC(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione?
The InChIKey is AIHDWBNWIGKNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-6-5-18-10(17)13(6)4-9(16)12-2-7(14)11-8(15)3-12/h5H,2-4H2,1H3,(H,11,14,15).
What are the key properties of 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione?
4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione has a molecular weight of 269.28 g/mol, XLogP of -1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66085149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).