2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine

C12H13BrN4S — CID 6442299

IUPAC2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine
SMILESCSc1nc(Br)c(/C=C\c2cncc(C)n2)n1C
InChIInChI=1S/C12H13BrN4S/c1-8-6-14-7-9(15-8)4-5-10-11(13)16-12(18-3)17(10)2/h4-7H,1-3H3/b5-4-
InChIKeyDHLXWIXVPQJOIG-PLNGDYQASA-N
MW325.24 g/mol
LogP3.17
Rot. Bonds3

About 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine

2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine (PubChem CID 6442299) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine
PubChem CID6442299
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine
SMILESCSc1nc(Br)c(/C=C\c2cncc(C)n2)n1C
InChIInChI=1S/C12H13BrN4S/c1-8-6-14-7-9(15-8)4-5-10-11(13)16-12(18-3)17(10)2/h4-7H,1-3H3/b5-4-
InChIKeyDHLXWIXVPQJOIG-PLNGDYQASA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine?
The IUPAC name of 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine (CID 6442299) is 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine.
What is the SMILES notation for 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine?
The canonical SMILES for 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine is CSc1nc(Br)c(/C=C\c2cncc(C)n2)n1C.
What is the InChIKey of 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine?
The InChIKey is DHLXWIXVPQJOIG-PLNGDYQASA-N. The full InChI is InChI=1S/C12H13BrN4S/c1-8-6-14-7-9(15-8)4-5-10-11(13)16-12(18-3)17(10)2/h4-7H,1-3H3/b5-4-.
What are the key properties of 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine?
2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine has a molecular weight of 325.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(5-bromo-3-methyl-2-methylsulfanylimidazol-4-yl)ethenyl]-6-methylpyrazine is sourced from PubChem (CID 6442299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).