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

C10H12F3N5S — CID 107304514

IUPAC2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H12F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-15-8(16-19-9)10(11,12)13/h7H,2-5H2,1H3
InChIKeyPOZOQCPMODGFEF-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.59
Rot. Bonds2

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

2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile (PubChem CID 107304514) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile
PubChem CID107304514
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC Name2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H12F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-15-8(16-19-9)10(11,12)13/h7H,2-5H2,1H3
InChIKeyPOZOQCPMODGFEF-UHFFFAOYSA-N
XLogP1.59
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile (CID 107304514) is 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile?
The InChIKey is POZOQCPMODGFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c1-7(6-14)17-2-4-18(5-3-17)9-15-8(16-19-9)10(11,12)13/h7H,2-5H2,1H3.
What are the key properties of 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile?
2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile has a molecular weight of 291.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 107304514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).