3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide

C11H8F2N4S — CID 62683222

IUPAC3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1cc(F)ccc1F
InChIInChI=1S/C11H8F2N4S/c12-6-1-2-7(13)8(5-6)18-11-9(10(14)15)16-3-4-17-11/h1-5H,(H3,14,15)
InChIKeyPUJKHIZGEYEPBI-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.19
Rot. Bonds3

About 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide

3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide (PubChem CID 62683222) has the molecular formula C11H8F2N4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide
PubChem CID62683222
Molecular FormulaC11H8F2N4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Sc1cc(F)ccc1F
InChIInChI=1S/C11H8F2N4S/c12-6-1-2-7(13)8(5-6)18-11-9(10(14)15)16-3-4-17-11/h1-5H,(H3,14,15)
InChIKeyPUJKHIZGEYEPBI-UHFFFAOYSA-N
XLogP2.19
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide?
The IUPAC name of 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide (CID 62683222) is 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide?
The canonical SMILES for 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Sc1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide?
The InChIKey is PUJKHIZGEYEPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4S/c12-6-1-2-7(13)8(5-6)18-11-9(10(14)15)16-3-4-17-11/h1-5H,(H3,14,15).
What are the key properties of 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide?
3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide has a molecular weight of 266.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)sulfanylpyrazine-2-carboximidamide is sourced from PubChem (CID 62683222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).