2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile

C11H17N5S — CID 65267907

IUPAC2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C11H17N5S/c1-3-10(8-12)15-4-6-16(7-5-15)11-13-9(2)14-17-11/h10H,3-7H2,1-2H3
InChIKeyHFVFEGYOYADHDK-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.27
Rot. Bonds3

About 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile

2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile (PubChem CID 65267907) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile
PubChem CID65267907
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCN(c2nc(C)ns2)CC1
InChIInChI=1S/C11H17N5S/c1-3-10(8-12)15-4-6-16(7-5-15)11-13-9(2)14-17-11/h10H,3-7H2,1-2H3
InChIKeyHFVFEGYOYADHDK-UHFFFAOYSA-N
XLogP1.27
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile (CID 65267907) is 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile is CCC(C#N)N1CCN(c2nc(C)ns2)CC1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile?
The InChIKey is HFVFEGYOYADHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-3-10(8-12)15-4-6-16(7-5-15)11-13-9(2)14-17-11/h10H,3-7H2,1-2H3.
What are the key properties of 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile?
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile has a molecular weight of 251.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanenitrile is sourced from PubChem (CID 65267907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).