2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone

C8H13N5OS2 — CID 43842181

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
SMILESNc1nnc(SCC(=O)N2CCNCC2)s1
InChIInChI=1S/C8H13N5OS2/c9-7-11-12-8(16-7)15-5-6(14)13-3-1-10-2-4-13/h10H,1-5H2,(H2,9,11)
InChIKeyDSHNDAASZZCHPD-UHFFFAOYSA-N
MW259.36 g/mol
LogP-0.36
Rot. Bonds3

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone (PubChem CID 43842181) has the molecular formula C8H13N5OS2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
PubChem CID43842181
Molecular FormulaC8H13N5OS2
Molecular Weight259.36 g/mol
Exact Mass259.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone
SMILESNc1nnc(SCC(=O)N2CCNCC2)s1
InChIInChI=1S/C8H13N5OS2/c9-7-11-12-8(16-7)15-5-6(14)13-3-1-10-2-4-13/h10H,1-5H2,(H2,9,11)
InChIKeyDSHNDAASZZCHPD-UHFFFAOYSA-N
XLogP-0.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone (CID 43842181) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone is Nc1nnc(SCC(=O)N2CCNCC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone?
The InChIKey is DSHNDAASZZCHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS2/c9-7-11-12-8(16-7)15-5-6(14)13-3-1-10-2-4-13/h10H,1-5H2,(H2,9,11).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone has a molecular weight of 259.36 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 43842181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).