5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine

C8H9N5S2 — CID 80663619

IUPAC5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
SMILESCCc1nsc(Sc2cnc(N)cn2)n1
InChIInChI=1S/C8H9N5S2/c1-2-6-12-8(15-13-6)14-7-4-10-5(9)3-11-7/h3-4H,2H2,1H3,(H2,9,10)
InChIKeyPQCWGZLOHAHSCM-UHFFFAOYSA-N
MW239.33 g/mol
LogP1.62
Rot. Bonds3

About 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine

5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine (PubChem CID 80663619) has the molecular formula C8H9N5S2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
PubChem CID80663619
Molecular FormulaC8H9N5S2
Molecular Weight239.33 g/mol
Exact Mass239.03
IUPAC Name5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
SMILESCCc1nsc(Sc2cnc(N)cn2)n1
InChIInChI=1S/C8H9N5S2/c1-2-6-12-8(15-13-6)14-7-4-10-5(9)3-11-7/h3-4H,2H2,1H3,(H2,9,10)
InChIKeyPQCWGZLOHAHSCM-UHFFFAOYSA-N
XLogP1.62
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine?
The IUPAC name of 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine (CID 80663619) is 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine?
The canonical SMILES for 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine is CCc1nsc(Sc2cnc(N)cn2)n1.
What is the InChIKey of 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine?
The InChIKey is PQCWGZLOHAHSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S2/c1-2-6-12-8(15-13-6)14-7-4-10-5(9)3-11-7/h3-4H,2H2,1H3,(H2,9,10).
What are the key properties of 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine?
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine has a molecular weight of 239.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 80663619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).