3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine

C9H10N4OS — CID 106679346

IUPAC3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine
SMILESCc1ocnc1CSc1nccnc1N
InChIInChI=1S/C9H10N4OS/c1-6-7(13-5-14-6)4-15-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H2,10,11)
InChIKeyOIJVGJZNTMJXNP-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.65
Rot. Bonds3

About 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine

3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine (PubChem CID 106679346) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine
PubChem CID106679346
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine
SMILESCc1ocnc1CSc1nccnc1N
InChIInChI=1S/C9H10N4OS/c1-6-7(13-5-14-6)4-15-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H2,10,11)
InChIKeyOIJVGJZNTMJXNP-UHFFFAOYSA-N
XLogP1.65
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine (CID 106679346) is 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine is Cc1ocnc1CSc1nccnc1N.
What is the InChIKey of 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine?
The InChIKey is OIJVGJZNTMJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-6-7(13-5-14-6)4-15-9-8(10)11-2-3-12-9/h2-3,5H,4H2,1H3,(H2,10,11).
What are the key properties of 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine?
3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine has a molecular weight of 222.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106679346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).