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

C11H15F3N4OS — CID 107305117

IUPAC1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
SMILESO=C(CCNc1nc(C(F)(F)F)ns1)N1CCCCC1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)9-16-10(20-17-9)15-5-4-8(19)18-6-2-1-3-7-18/h1-7H2,(H,15,16,17)
InChIKeyLTXOHRIZKDINAY-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.37
Rot. Bonds4

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

1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one (PubChem CID 107305117) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
PubChem CID107305117
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one
SMILESO=C(CCNc1nc(C(F)(F)F)ns1)N1CCCCC1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)9-16-10(20-17-9)15-5-4-8(19)18-6-2-1-3-7-18/h1-7H2,(H,15,16,17)
InChIKeyLTXOHRIZKDINAY-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998569
Ethyl 4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxylate
CID 107304691
3-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304724
N,N-dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304752
N,N-diethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304753
2-[4-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]piperidin-1-yl]acetamide
CID 107304765
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776
N-methyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304879
N-propyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304882
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

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one (CID 107305117) is 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one is O=C(CCNc1nc(C(F)(F)F)ns1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
The InChIKey is LTXOHRIZKDINAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c12-11(13,14)9-16-10(20-17-9)15-5-4-8(19)18-6-2-1-3-7-18/h1-7H2,(H,15,16,17).
What are the key properties of 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one?
1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one has a molecular weight of 308.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-one is sourced from PubChem (CID 107305117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).