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

C9H13ClN4OS — CID 43408265

IUPAC1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C9H13ClN4OS/c1-7(15)14-4-2-13(3-5-14)6-8-9(10)16-12-11-8/h2-6H2,1H3
InChIKeyNQOOMAXEQOOSLD-UHFFFAOYSA-N
MW260.75 g/mol
LogP0.86
Rot. Bonds2

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

1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 43408265) has the molecular formula C9H13ClN4OS and a molecular weight of 260.75 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID43408265
Molecular FormulaC9H13ClN4OS
Molecular Weight260.75 g/mol
Exact Mass260.05
IUPAC Name1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C9H13ClN4OS/c1-7(15)14-4-2-13(3-5-14)6-8-9(10)16-12-11-8/h2-6H2,1H3
InChIKeyNQOOMAXEQOOSLD-UHFFFAOYSA-N
XLogP0.86
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 43408265) is 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is NQOOMAXEQOOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4OS/c1-7(15)14-4-2-13(3-5-14)6-8-9(10)16-12-11-8/h2-6H2,1H3.
What are the key properties of 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 260.75 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 43408265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).