1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione

C9H11ClN4O2S — CID 43625588

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(Cc2nnsc2Cl)C(=O)C1=O
InChIInChI=1S/C9H11ClN4O2S/c1-2-13-3-4-14(9(16)8(13)15)5-6-7(10)17-12-11-6/h2-5H2,1H3
InChIKeyJDWKYXITUZUWBZ-UHFFFAOYSA-N
MW274.73 g/mol
LogP0.38
Rot. Bonds3

About 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione

1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione (PubChem CID 43625588) has the molecular formula C9H11ClN4O2S and a molecular weight of 274.73 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione
PubChem CID43625588
Molecular FormulaC9H11ClN4O2S
Molecular Weight274.73 g/mol
Exact Mass274.03
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(Cc2nnsc2Cl)C(=O)C1=O
InChIInChI=1S/C9H11ClN4O2S/c1-2-13-3-4-14(9(16)8(13)15)5-6-7(10)17-12-11-6/h2-5H2,1H3
InChIKeyJDWKYXITUZUWBZ-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione (CID 43625588) is 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(Cc2nnsc2Cl)C(=O)C1=O.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is JDWKYXITUZUWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S/c1-2-13-3-4-14(9(16)8(13)15)5-6-7(10)17-12-11-6/h2-5H2,1H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione?
1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 274.73 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 43625588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).