2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile

C13H21N5S — CID 65272549

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C13H21N5S/c1-3-5-11(10-14)17-6-8-18(9-7-17)13-15-12(4-2)16-19-13/h11H,3-9H2,1-2H3
InChIKeyCIPVOGUVLTUGBP-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.91
Rot. Bonds5

About 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile (PubChem CID 65272549) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile
PubChem CID65272549
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2nc(CC)ns2)CC1
InChIInChI=1S/C13H21N5S/c1-3-5-11(10-14)17-6-8-18(9-7-17)13-15-12(4-2)16-19-13/h11H,3-9H2,1-2H3
InChIKeyCIPVOGUVLTUGBP-UHFFFAOYSA-N
XLogP1.91
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile (CID 65272549) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(c2nc(CC)ns2)CC1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile?
The InChIKey is CIPVOGUVLTUGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-3-5-11(10-14)17-6-8-18(9-7-17)13-15-12(4-2)16-19-13/h11H,3-9H2,1-2H3.
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile has a molecular weight of 279.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 65272549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).