3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione

C8H7F3N4O2S — CID 107305022

IUPAC3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2nc(C(F)(F)F)ns2)C(=O)N1
InChIInChI=1S/C8H7F3N4O2S/c9-8(10,11)6-14-7(18-15-6)12-3-1-2-4(16)13-5(3)17/h3H,1-2H2,(H,12,14,15)(H,13,16,17)
InChIKeyKNDNXLQDCCPEHO-UHFFFAOYSA-N
MW280.23 g/mol
LogP0.77
Rot. Bonds2

About 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione

3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione (PubChem CID 107305022) has the molecular formula C8H7F3N4O2S and a molecular weight of 280.23 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
PubChem CID107305022
Molecular FormulaC8H7F3N4O2S
Molecular Weight280.23 g/mol
Exact Mass280.02
IUPAC Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2nc(C(F)(F)F)ns2)C(=O)N1
InChIInChI=1S/C8H7F3N4O2S/c9-8(10,11)6-14-7(18-15-6)12-3-1-2-4(16)13-5(3)17/h3H,1-2H2,(H,12,14,15)(H,13,16,17)
InChIKeyKNDNXLQDCCPEHO-UHFFFAOYSA-N
XLogP0.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
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 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione (CID 107305022) is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione is O=C1CCC(Nc2nc(C(F)(F)F)ns2)C(=O)N1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione?
The InChIKey is KNDNXLQDCCPEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O2S/c9-8(10,11)6-14-7(18-15-6)12-3-1-2-4(16)13-5(3)17/h3H,1-2H2,(H,12,14,15)(H,13,16,17).
What are the key properties of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione?
3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione has a molecular weight of 280.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 107305022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).