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

C6H7N5O2S — CID 66281222

IUPAC4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione
SMILESNc1nsc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C6H7N5O2S/c7-5-9-6(14-10-5)11-1-3(12)8-4(13)2-11/h1-2H2,(H2,7,10)(H,8,12,13)
InChIKeySMTXKHZQQDIZAO-UHFFFAOYSA-N
MW213.22 g/mol
LogP-1.42
Rot. Bonds1

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

4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione (PubChem CID 66281222) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione
PubChem CID66281222
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione
SMILESNc1nsc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C6H7N5O2S/c7-5-9-6(14-10-5)11-1-3(12)8-4(13)2-11/h1-2H2,(H2,7,10)(H,8,12,13)
InChIKeySMTXKHZQQDIZAO-UHFFFAOYSA-N
XLogP-1.42
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione?
The IUPAC name of 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione (CID 66281222) is 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione is Nc1nsc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione?
The InChIKey is SMTXKHZQQDIZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c7-5-9-6(14-10-5)11-1-3(12)8-4(13)2-11/h1-2H2,(H2,7,10)(H,8,12,13).
What are the key properties of 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione?
4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-2,6-dione has a molecular weight of 213.22 g/mol, XLogP of -1.42, 1 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)piperazine-2,6-dione is sourced from PubChem (CID 66281222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).