1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone

C9H15N5OS — CID 62178043

IUPAC1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nnsc2N)CC1
InChIInChI=1S/C9H15N5OS/c1-7(15)14-4-2-13(3-5-14)6-8-9(10)16-12-11-8/h2-6,10H2,1H3
InChIKeyYBYDROOPKQPVKN-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.22
Rot. Bonds2

About 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 62178043) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID62178043
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nnsc2N)CC1
InChIInChI=1S/C9H15N5OS/c1-7(15)14-4-2-13(3-5-14)6-8-9(10)16-12-11-8/h2-6,10H2,1H3
InChIKeyYBYDROOPKQPVKN-UHFFFAOYSA-N
XLogP-0.22
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 62178043) is 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nnsc2N)CC1.
What is the InChIKey of 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is YBYDROOPKQPVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-7(15)14-4-2-13(3-5-14)6-8-9(10)16-12-11-8/h2-6,10H2,1H3.
What are the key properties of 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 241.32 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-aminothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 62178043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).