3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine

C8H15N5S — CID 28908351

IUPAC3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCCN1CCN(c2nsc(N)n2)CC1
InChIInChI=1S/C8H15N5S/c1-2-12-3-5-13(6-4-12)8-10-7(9)14-11-8/h2-6H2,1H3,(H2,9,10,11)
InChIKeyAKHQFGUDEKJWFM-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.26
Rot. Bonds2

About 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine

3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 28908351) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID28908351
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC Name3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine
SMILESCCN1CCN(c2nsc(N)n2)CC1
InChIInChI=1S/C8H15N5S/c1-2-12-3-5-13(6-4-12)8-10-7(9)14-11-8/h2-6H2,1H3,(H2,9,10,11)
InChIKeyAKHQFGUDEKJWFM-UHFFFAOYSA-N
XLogP0.26
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine (CID 28908351) is 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine is CCN1CCN(c2nsc(N)n2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AKHQFGUDEKJWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-2-12-3-5-13(6-4-12)8-10-7(9)14-11-8/h2-6H2,1H3,(H2,9,10,11).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine?
3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 28908351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).