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

C8H9N5S — CID 71001751

IUPAC3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1cnc(-c2nsc(N)n2)cn1
InChIInChI=1S/C8H9N5S/c1-2-5-3-11-6(4-10-5)7-12-8(9)14-13-7/h3-4H,2H2,1H3,(H2,9,12,13)
InChIKeyKETFPRGGINORFX-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.14
Rot. Bonds2

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

3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 71001751) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID71001751
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1cnc(-c2nsc(N)n2)cn1
InChIInChI=1S/C8H9N5S/c1-2-5-3-11-6(4-10-5)7-12-8(9)14-13-7/h3-4H,2H2,1H3,(H2,9,12,13)
InChIKeyKETFPRGGINORFX-UHFFFAOYSA-N
XLogP1.14
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine (CID 71001751) is 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine is CCc1cnc(-c2nsc(N)n2)cn1.
What is the InChIKey of 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KETFPRGGINORFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-2-5-3-11-6(4-10-5)7-12-8(9)14-13-7/h3-4H,2H2,1H3,(H2,9,12,13).
What are the key properties of 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine?
3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 207.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylpyrazin-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 71001751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).