4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one

C7H7F3N4OS — CID 106191970

IUPAC4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(C(F)(F)F)ns2)CN1
InChIInChI=1S/C7H7F3N4OS/c8-7(9,10)5-13-6(16-14-5)12-3-1-4(15)11-2-3/h3H,1-2H2,(H,11,15)(H,12,13,14)
InChIKeyTWFGENPTDQXXAZ-UHFFFAOYSA-N
MW252.22 g/mol
LogP0.86
Rot. Bonds2

About 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one

4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one (PubChem CID 106191970) has the molecular formula C7H7F3N4OS and a molecular weight of 252.22 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
PubChem CID106191970
Molecular FormulaC7H7F3N4OS
Molecular Weight252.22 g/mol
Exact Mass252.03
IUPAC Name4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2nc(C(F)(F)F)ns2)CN1
InChIInChI=1S/C7H7F3N4OS/c8-7(9,10)5-13-6(16-14-5)12-3-1-4(15)11-2-3/h3H,1-2H2,(H,11,15)(H,12,13,14)
InChIKeyTWFGENPTDQXXAZ-UHFFFAOYSA-N
XLogP0.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one (CID 106191970) is 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one is O=C1CC(Nc2nc(C(F)(F)F)ns2)CN1.
What is the InChIKey of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one?
The InChIKey is TWFGENPTDQXXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4OS/c8-7(9,10)5-13-6(16-14-5)12-3-1-4(15)11-2-3/h3H,1-2H2,(H,11,15)(H,12,13,14).
What are the key properties of 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one?
4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one has a molecular weight of 252.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106191970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).