benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate

C19H17N5OS — CID 89062449

IUPACbenzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])c1ccccc1)c1nc(-c2ccccc2SC)cnc1N
InChIInChI=1S/C19H17N5OS/c1-26-15-10-6-5-9-13(15)14-11-23-17(20)16(24-14)19(22)25-18(21)12-7-3-2-4-8-12/h2-11,21-22H,1H3,(H2,20,23)/b21-18+,22-19-
InChIKeyKEUMUEFGIBLSBL-UWTFAZPUSA-N
MW363.45 g/mol
LogP3.82
Rot. Bonds4

About benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate

benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate (PubChem CID 89062449) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate.

Molecular Properties

Compound Namebenzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate
PubChem CID89062449
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Namebenzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])c1ccccc1)c1nc(-c2ccccc2SC)cnc1N
InChIInChI=1S/C19H17N5OS/c1-26-15-10-6-5-9-13(15)14-11-23-17(20)16(24-14)19(22)25-18(21)12-7-3-2-4-8-12/h2-11,21-22H,1H3,(H2,20,23)/b21-18+,22-19-
InChIKeyKEUMUEFGIBLSBL-UWTFAZPUSA-N
XLogP3.82
TPSA108.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate?
The IUPAC name of benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate (CID 89062449) is benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate.
What is the SMILES notation for benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate?
The canonical SMILES for benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate is [H]/N=C(\O/C(=N/[H])c1ccccc1)c1nc(-c2ccccc2SC)cnc1N.
What is the InChIKey of benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate?
The InChIKey is KEUMUEFGIBLSBL-UWTFAZPUSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-26-15-10-6-5-9-13(15)14-11-23-17(20)16(24-14)19(22)25-18(21)12-7-3-2-4-8-12/h2-11,21-22H,1H3,(H2,20,23)/b21-18+,22-19-.
What are the key properties of benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate?
benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate has a molecular weight of 363.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzenecarboximidoyl 3-amino-6-(2-methylsulfanylphenyl)pyrazine-2-carboximidate is sourced from PubChem (CID 89062449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).