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

C10H15N5S — CID 65209826

IUPAC2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile
SMILESCc1nnc(N2CCN(C(C)C#N)CC2)s1
InChIInChI=1S/C10H15N5S/c1-8(7-11)14-3-5-15(6-4-14)10-13-12-9(2)16-10/h8H,3-6H2,1-2H3
InChIKeyKHJVYCRGVYTYFE-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.88
Rot. Bonds2

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

2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile (PubChem CID 65209826) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile
PubChem CID65209826
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile
SMILESCc1nnc(N2CCN(C(C)C#N)CC2)s1
InChIInChI=1S/C10H15N5S/c1-8(7-11)14-3-5-15(6-4-14)10-13-12-9(2)16-10/h8H,3-6H2,1-2H3
InChIKeyKHJVYCRGVYTYFE-UHFFFAOYSA-N
XLogP0.88
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile (CID 65209826) is 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile is Cc1nnc(N2CCN(C(C)C#N)CC2)s1.
What is the InChIKey of 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile?
The InChIKey is KHJVYCRGVYTYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-8(7-11)14-3-5-15(6-4-14)10-13-12-9(2)16-10/h8H,3-6H2,1-2H3.
What are the key properties of 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile?
2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile has a molecular weight of 237.33 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 65209826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).