2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole

C10H9N5S2 — CID 142974219

IUPAC2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2cc(-c3cnccn3)nc2s1
InChIInChI=1S/C10H9N5S2/c1-2-16-10-14-15-6-8(13-9(15)17-10)7-5-11-3-4-12-7/h3-6H,2H2,1H3
InChIKeySIXHZKJHOYXDET-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.36
Rot. Bonds3

About 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole

2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 142974219) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID142974219
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCSc1nn2cc(-c3cnccn3)nc2s1
InChIInChI=1S/C10H9N5S2/c1-2-16-10-14-15-6-8(13-9(15)17-10)7-5-11-3-4-12-7/h3-6H,2H2,1H3
InChIKeySIXHZKJHOYXDET-UHFFFAOYSA-N
XLogP2.36
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole (CID 142974219) is 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole is CCSc1nn2cc(-c3cnccn3)nc2s1.
What is the InChIKey of 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is SIXHZKJHOYXDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-2-16-10-14-15-6-8(13-9(15)17-10)7-5-11-3-4-12-7/h3-6H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole?
2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 263.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-pyrazin-2-ylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 142974219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).