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

C8H9F3N4OS — CID 107304982

IUPAC5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNc2nc(C(F)(F)F)ns2)N1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)12-3-4-1-2-5(16)13-4/h4H,1-3H2,(H,13,16)(H,12,14,15)
InChIKeyBCCUVYBGJINRFE-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.25
Rot. Bonds3

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

5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 107304982) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one
PubChem CID107304982
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC Name5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNc2nc(C(F)(F)F)ns2)N1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)12-3-4-1-2-5(16)13-4/h4H,1-3H2,(H,13,16)(H,12,14,15)
InChIKeyBCCUVYBGJINRFE-UHFFFAOYSA-N
XLogP1.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304893
5-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304953
1-Methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
CID 107304993
1-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidine-2,5-dione
CID 107305018
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
CID 107305022
1-Methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-2,6-dione
CID 107305023
N-cyclopropyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanamide
CID 107305040
1-Pyrrolidin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
CID 107305101

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one (CID 107304982) is 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one is O=C1CCC(CNc2nc(C(F)(F)F)ns2)N1.
What is the InChIKey of 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is BCCUVYBGJINRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)12-3-4-1-2-5(16)13-4/h4H,1-3H2,(H,13,16)(H,12,14,15).
What are the key properties of 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one?
5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 266.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107304982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).