5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine

C12H10F2N4S — CID 88948304

IUPAC5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine
SMILES[H]/N=C(\C)c1nc(Sc2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C12H10F2N4S/c1-6(15)11-12(16)17-5-10(18-11)19-9-3-7(13)2-8(14)4-9/h2-5,15H,1H3,(H2,16,17)/b15-6+
InChIKeyYZSBAVZEVYDBRN-GIDUJCDVSA-N
MW280.30 g/mol
LogP2.88
Rot. Bonds3

About 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine

5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine (PubChem CID 88948304) has the molecular formula C12H10F2N4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine
PubChem CID88948304
Molecular FormulaC12H10F2N4S
Molecular Weight280.30 g/mol
Exact Mass280.06
IUPAC Name5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine
SMILES[H]/N=C(\C)c1nc(Sc2cc(F)cc(F)c2)cnc1N
InChIInChI=1S/C12H10F2N4S/c1-6(15)11-12(16)17-5-10(18-11)19-9-3-7(13)2-8(14)4-9/h2-5,15H,1H3,(H2,16,17)/b15-6+
InChIKeyYZSBAVZEVYDBRN-GIDUJCDVSA-N
XLogP2.88
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine?
The IUPAC name of 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine (CID 88948304) is 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine is [H]/N=C(\C)c1nc(Sc2cc(F)cc(F)c2)cnc1N.
What is the InChIKey of 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine?
The InChIKey is YZSBAVZEVYDBRN-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H10F2N4S/c1-6(15)11-12(16)17-5-10(18-11)19-9-3-7(13)2-8(14)4-9/h2-5,15H,1H3,(H2,16,17)/b15-6+.
What are the key properties of 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine?
5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine has a molecular weight of 280.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)sulfanyl-3-ethanimidoylpyrazin-2-amine is sourced from PubChem (CID 88948304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).