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

C10H17N5OS — CID 82058213

IUPAC1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCc2nnc(N)s2)CC1
InChIInChI=1S/C10H17N5OS/c1-8(16)15-6-4-14(5-7-15)3-2-9-12-13-10(11)17-9/h2-7H2,1H3,(H2,11,13)
InChIKeyXBOXWNPCIZBFAJ-UHFFFAOYSA-N
MW255.35 g/mol
LogP-0.17
Rot. Bonds3

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

1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 82058213) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID82058213
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCc2nnc(N)s2)CC1
InChIInChI=1S/C10H17N5OS/c1-8(16)15-6-4-14(5-7-15)3-2-9-12-13-10(11)17-9/h2-7H2,1H3,(H2,11,13)
InChIKeyXBOXWNPCIZBFAJ-UHFFFAOYSA-N
XLogP-0.17
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone (CID 82058213) is 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCc2nnc(N)s2)CC1.
What is the InChIKey of 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is XBOXWNPCIZBFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-8(16)15-6-4-14(5-7-15)3-2-9-12-13-10(11)17-9/h2-7H2,1H3,(H2,11,13).
What are the key properties of 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 255.35 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 82058213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).