1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone

C9H12F3N5OS — CID 107305297

IUPAC1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
SMILESO=C(CNc1nc(C(F)(F)F)ns1)N1CCNCC1
InChIInChI=1S/C9H12F3N5OS/c10-9(11,12)7-15-8(19-16-7)14-5-6(18)17-3-1-13-2-4-17/h13H,1-5H2,(H,14,15,16)
InChIKeySKOOBJOFBNEZNG-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.40
Rot. Bonds3

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

1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone (PubChem CID 107305297) has the molecular formula C9H12F3N5OS and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
PubChem CID107305297
Molecular FormulaC9H12F3N5OS
Molecular Weight295.29 g/mol
Exact Mass295.07
IUPAC Name1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone
SMILESO=C(CNc1nc(C(F)(F)F)ns1)N1CCNCC1
InChIInChI=1S/C9H12F3N5OS/c10-9(11,12)7-15-8(19-16-7)14-5-6(18)17-3-1-13-2-4-17/h13H,1-5H2,(H,14,15,16)
InChIKeySKOOBJOFBNEZNG-UHFFFAOYSA-N
XLogP0.40
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone?
The IUPAC name of 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone (CID 107305297) is 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone is O=C(CNc1nc(C(F)(F)F)ns1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone?
The InChIKey is SKOOBJOFBNEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5OS/c10-9(11,12)7-15-8(19-16-7)14-5-6(18)17-3-1-13-2-4-17/h13H,1-5H2,(H,14,15,16).
What are the key properties of 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone?
1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone has a molecular weight of 295.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanone is sourced from PubChem (CID 107305297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).