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

C9H9F3N4O2S — CID 107305023

IUPAC1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2nc(C(F)(F)F)ns2)C1=O
InChIInChI=1S/C9H9F3N4O2S/c1-16-5(17)3-2-4(6(16)18)13-8-14-7(15-19-8)9(10,11)12/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyRCWYQUVSPVLUQY-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.12
Rot. Bonds2

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

1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione (PubChem CID 107305023) has the molecular formula C9H9F3N4O2S and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
PubChem CID107305023
Molecular FormulaC9H9F3N4O2S
Molecular Weight294.26 g/mol
Exact Mass294.04
IUPAC Name1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2nc(C(F)(F)F)ns2)C1=O
InChIInChI=1S/C9H9F3N4O2S/c1-16-5(17)3-2-4(6(16)18)13-8-14-7(15-19-8)9(10,11)12/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyRCWYQUVSPVLUQY-UHFFFAOYSA-N
XLogP1.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.12
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 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione (CID 107305023) is 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione is CN1C(=O)CCC(Nc2nc(C(F)(F)F)ns2)C1=O.
What is the InChIKey of 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione?
The InChIKey is RCWYQUVSPVLUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O2S/c1-16-5(17)3-2-4(6(16)18)13-8-14-7(15-19-8)9(10,11)12/h4H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione?
1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione has a molecular weight of 294.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 107305023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).