4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine

C12H12N6OS — CID 80655454

IUPAC4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3cnccn3)no2)cs1
InChIInChI=1S/C12H12N6OS/c13-12-16-8(7-20-12)2-1-3-10-17-11(18-19-10)9-6-14-4-5-15-9/h4-7H,1-3H2,(H2,13,16)
InChIKeyLJXOAAVTHRBZIC-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.74
Rot. Bonds5

About 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine

4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 80655454) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
PubChem CID80655454
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCc2nc(-c3cnccn3)no2)cs1
InChIInChI=1S/C12H12N6OS/c13-12-16-8(7-20-12)2-1-3-10-17-11(18-19-10)9-6-14-4-5-15-9/h4-7H,1-3H2,(H2,13,16)
InChIKeyLJXOAAVTHRBZIC-UHFFFAOYSA-N
XLogP1.74
TPSA103.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine (CID 80655454) is 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine is Nc1nc(CCCc2nc(-c3cnccn3)no2)cs1.
What is the InChIKey of 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is LJXOAAVTHRBZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c13-12-16-8(7-20-12)2-1-3-10-17-11(18-19-10)9-6-14-4-5-15-9/h4-7H,1-3H2,(H2,13,16).
What are the key properties of 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine?
4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 288.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 80655454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).