2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C13H9BrN4OS — CID 71453192

IUPAC2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESBrc1ccccc1CSc1nnc(-c2cnccn2)o1
InChIInChI=1S/C13H9BrN4OS/c14-10-4-2-1-3-9(10)8-20-13-18-17-12(19-13)11-7-15-5-6-16-11/h1-7H,8H2
InChIKeyJEIOFKNZPKJGTM-UHFFFAOYSA-N
MW349.21 g/mol
LogP3.58
Rot. Bonds4

About 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 71453192) has the molecular formula C13H9BrN4OS and a molecular weight of 349.21 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID71453192
Molecular FormulaC13H9BrN4OS
Molecular Weight349.21 g/mol
Exact Mass347.97
IUPAC Name2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESBrc1ccccc1CSc1nnc(-c2cnccn2)o1
InChIInChI=1S/C13H9BrN4OS/c14-10-4-2-1-3-9(10)8-20-13-18-17-12(19-13)11-7-15-5-6-16-11/h1-7H,8H2
InChIKeyJEIOFKNZPKJGTM-UHFFFAOYSA-N
XLogP3.58
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Pyrazin-2-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-benzonitrile
CID 654523
2-[(3-Bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 71456714
2-[(3-Chlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 71458555
2-[[1-[(4-Methylphenyl)methyl]triazol-4-yl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 156020317
2-[(2-Chlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 71449575
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 71456715
2-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzonitrile
CID 1467934
2-[5-(Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]pyrazine
CID 1467938
2-[(2,4-Difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 71451381
2-[(4-Chlorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 71454932
2-[(2,6-Difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 71458552
2-[(2-Fluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 71460402

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 71453192) is 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is Brc1ccccc1CSc1nnc(-c2cnccn2)o1.
What is the InChIKey of 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is JEIOFKNZPKJGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4OS/c14-10-4-2-1-3-9(10)8-20-13-18-17-12(19-13)11-7-15-5-6-16-11/h1-7H,8H2.
What are the key properties of 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 349.21 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 71453192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).