4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione

C8H11N5O2S — CID 66278813

IUPAC4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1nc(N)ns1
InChIInChI=1S/C8H11N5O2S/c1-2-4-6(15)10-5(14)3-13(4)8-11-7(9)12-16-8/h4H,2-3H2,1H3,(H2,9,12)(H,10,14,15)
InChIKeyHBIDUFDBWRQSTH-UHFFFAOYSA-N
MW241.28 g/mol
LogP-0.64
Rot. Bonds2

About 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione

4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione (PubChem CID 66278813) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione
PubChem CID66278813
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1c1nc(N)ns1
InChIInChI=1S/C8H11N5O2S/c1-2-4-6(15)10-5(14)3-13(4)8-11-7(9)12-16-8/h4H,2-3H2,1H3,(H2,9,12)(H,10,14,15)
InChIKeyHBIDUFDBWRQSTH-UHFFFAOYSA-N
XLogP-0.64
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-1,3-thiazol-2-yl)-3-ethylpiperazine-2,6-dione
CID 79399309
4-(2,6-diaminopyrimidin-4-yl)-3-ethylpiperazine-2,6-dione
CID 80850984
4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione
CID 66281222
2-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576560
4-(4-amino-2,6-dichlorophenyl)-3-ethylpiperazine-2,6-dione
CID 106890549
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-3-ethylpiperazine-2,6-dione
CID 66067136
4-(5-amino-6-ethoxy-2-pyridinyl)-3-ethylpiperazine-2,6-dione
CID 66069258
5-amino-6-(2-ethyl-3,5-dioxopiperazin-1-yl)pyridine-2-carboxamide
CID 114406910
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067221
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3-ethylpiperazine-2,6-dione
CID 81037837
4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
CID 66068288
4-[3-(aminomethyl)pyrazin-2-yl]-3-ethylpiperazine-2,6-dione
CID 66068280

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione (CID 66278813) is 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1c1nc(N)ns1.
What is the InChIKey of 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione?
The InChIKey is HBIDUFDBWRQSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c1-2-4-6(15)10-5(14)3-13(4)8-11-7(9)12-16-8/h4H,2-3H2,1H3,(H2,9,12)(H,10,14,15).
What are the key properties of 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione?
4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione has a molecular weight of 241.28 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2,4-thiadiazol-5-yl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66278813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).