3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione

C11H10FN3S — CID 51358672

IUPAC3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione
SMILESFc1ccccc1CNc1ncc[nH]c1=S
InChIInChI=1S/C11H10FN3S/c12-9-4-2-1-3-8(9)7-15-10-11(16)14-6-5-13-10/h1-6H,7H2,(H,13,15)(H,14,16)
InChIKeyDQLOKTFJWOZLBD-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.89
Rot. Bonds3

About 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione

3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione (PubChem CID 51358672) has the molecular formula C11H10FN3S and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione
PubChem CID51358672
Molecular FormulaC11H10FN3S
Molecular Weight235.29 g/mol
Exact Mass235.06
IUPAC Name3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione
SMILESFc1ccccc1CNc1ncc[nH]c1=S
InChIInChI=1S/C11H10FN3S/c12-9-4-2-1-3-8(9)7-15-10-11(16)14-6-5-13-10/h1-6H,7H2,(H,13,15)(H,14,16)
InChIKeyDQLOKTFJWOZLBD-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione (CID 51358672) is 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione is Fc1ccccc1CNc1ncc[nH]c1=S.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione?
The InChIKey is DQLOKTFJWOZLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3S/c12-9-4-2-1-3-8(9)7-15-10-11(16)14-6-5-13-10/h1-6H,7H2,(H,13,15)(H,14,16).
What are the key properties of 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione?
3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione has a molecular weight of 235.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-1H-pyrazine-2-thione is sourced from PubChem (CID 51358672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).