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

C8H9F3N4OS — CID 107304893

IUPAC3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-4-2-1-3-12-5(4)16/h4H,1-3H2,(H,12,16)(H,13,14,15)
InChIKeyZJBVHVTZHDEJEO-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.25
Rot. Bonds2

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

3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one (PubChem CID 107304893) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
PubChem CID107304893
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC Name3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-4-2-1-3-12-5(4)16/h4H,1-3H2,(H,12,16)(H,13,14,15)
InChIKeyZJBVHVTZHDEJEO-UHFFFAOYSA-N
XLogP1.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409
(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
CID 96979437
4-Methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 119037726
N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902
(3S)-3-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 128850107
2,2,2-Trifluoro-1-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 86800859
2,2,2-trifluoro-1-[(2S)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 99787161
2,2,2-trifluoro-1-[(2R)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 99787162
N-cyclopropyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107304728
2-[4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide
CID 107304765
N-methyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304825

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one (CID 107304893) is 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one is O=C1NCCCC1Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one?
The InChIKey is ZJBVHVTZHDEJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c9-8(10,11)6-14-7(17-15-6)13-4-2-1-3-12-5(4)16/h4H,1-3H2,(H,12,16)(H,13,14,15).
What are the key properties of 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one?
3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one has a molecular weight of 266.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-2-one is sourced from PubChem (CID 107304893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).