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

C9H11F3N4OS — CID 107304993

IUPAC1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
SMILESCN1CC(Nc2nc(C(F)(F)F)ns2)CCC1=O
InChIInChI=1S/C9H11F3N4OS/c1-16-4-5(2-3-6(16)17)13-8-14-7(15-18-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14,15)
InChIKeyMLMHDUOGGISTMQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.59
Rot. Bonds2

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

1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one (PubChem CID 107304993) has the molecular formula C9H11F3N4OS and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
PubChem CID107304993
Molecular FormulaC9H11F3N4OS
Molecular Weight280.28 g/mol
Exact Mass280.06
IUPAC Name1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
SMILESCN1CC(Nc2nc(C(F)(F)F)ns2)CCC1=O
InChIInChI=1S/C9H11F3N4OS/c1-16-4-5(2-3-6(16)17)13-8-14-7(15-18-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14,15)
InChIKeyMLMHDUOGGISTMQ-UHFFFAOYSA-N
XLogP1.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one (CID 107304993) is 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one is CN1CC(Nc2nc(C(F)(F)F)ns2)CCC1=O.
What is the InChIKey of 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one?
The InChIKey is MLMHDUOGGISTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-16-4-5(2-3-6(16)17)13-8-14-7(15-18-8)9(10,11)12/h5H,2-4H2,1H3,(H,13,14,15).
What are the key properties of 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one?
1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one has a molecular weight of 280.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one is sourced from PubChem (CID 107304993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).