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

C8H7F3N4O2S — CID 107305018

IUPAC1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nc(C(F)(F)F)ns2)C1=O
InChIInChI=1S/C8H7F3N4O2S/c1-15-4(16)2-3(5(15)17)12-7-13-6(14-18-7)8(9,10)11/h3H,2H2,1H3,(H,12,13,14)
InChIKeyDIAZJMZWIJHQPZ-UHFFFAOYSA-N
MW280.23 g/mol
LogP0.73
Rot. Bonds2

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

1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione (PubChem CID 107305018) has the molecular formula C8H7F3N4O2S and a molecular weight of 280.23 g/mol. Its IUPAC name is 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione
PubChem CID107305018
Molecular FormulaC8H7F3N4O2S
Molecular Weight280.23 g/mol
Exact Mass280.02
IUPAC Name1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nc(C(F)(F)F)ns2)C1=O
InChIInChI=1S/C8H7F3N4O2S/c1-15-4(16)2-3(5(15)17)12-7-13-6(14-18-7)8(9,10)11/h3H,2H2,1H3,(H,12,13,14)
InChIKeyDIAZJMZWIJHQPZ-UHFFFAOYSA-N
XLogP0.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 75376042
1-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 91643484
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 164633149
4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
CID 106191970
N-propyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304835
5-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one
CID 107304982
1-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
CID 107305023
1-Pyrrolidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
CID 107305101
N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305103
N,N-diethyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305108
1-Pyrrolidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305109
1-Pyrrolidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
CID 107305116

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione (CID 107305018) is 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione is CN1C(=O)CC(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]pyrrolidine-2,5-dione?
The InChIKey is DIAZJMZWIJHQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O2S/c1-15-4(16)2-3(5(15)17)12-7-13-6(14-18-7)8(9,10)11/h3H,2H2,1H3,(H,12,13,14).
What are the key properties of 1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione?
1-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione has a molecular weight of 280.23 g/mol, XLogP of 0.73, 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]pyrrolidine-2,5-dione is sourced from PubChem (CID 107305018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).