4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione

C10H11N3O3S — CID 66073903

IUPAC4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione
SMILESCC(=O)c1csc(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C10H11N3O3S/c1-5-9(16)12-8(15)3-13(5)10-11-7(4-17-10)6(2)14/h4-5H,3H2,1-2H3,(H,12,15,16)
InChIKeyVFMCFZWMQQPCIO-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.20
Rot. Bonds2

About 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione

4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione (PubChem CID 66073903) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione
PubChem CID66073903
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione
SMILESCC(=O)c1csc(N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C10H11N3O3S/c1-5-9(16)12-8(15)3-13(5)10-11-7(4-17-10)6(2)14/h4-5H,3H2,1-2H3,(H,12,15,16)
InChIKeyVFMCFZWMQQPCIO-UHFFFAOYSA-N
XLogP0.20
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.20
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-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione (CID 66073903) is 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione is CC(=O)c1csc(N2CC(=O)NC(=O)C2C)n1.
What is the InChIKey of 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione?
The InChIKey is VFMCFZWMQQPCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-5-9(16)12-8(15)3-13(5)10-11-7(4-17-10)6(2)14/h4-5H,3H2,1-2H3,(H,12,15,16).
What are the key properties of 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione?
4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione has a molecular weight of 253.28 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-1,3-thiazol-2-yl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66073903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).