N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide

C12H10BrN3OS — CID 79026184

IUPACN-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cnc(Br)cn1
InChIInChI=1S/C12H10BrN3OS/c13-10-6-15-11(7-14-10)16-12(17)8-18-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16,17)
InChIKeyGVSPRHWDWQXFHE-UHFFFAOYSA-N
MW324.20 g/mol
LogP2.97
Rot. Bonds4

About N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide

N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide (PubChem CID 79026184) has the molecular formula C12H10BrN3OS and a molecular weight of 324.20 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide
PubChem CID79026184
Molecular FormulaC12H10BrN3OS
Molecular Weight324.20 g/mol
Exact Mass322.97
IUPAC NameN-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cnc(Br)cn1
InChIInChI=1S/C12H10BrN3OS/c13-10-6-15-11(7-14-10)16-12(17)8-18-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16,17)
InChIKeyGVSPRHWDWQXFHE-UHFFFAOYSA-N
XLogP2.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-phenylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 61319605
1-benzyl-3-(5-bromopyrazin-2-yl)urea
CID 107653654
N-(6-methoxy-3-pyridinyl)-2-phenylsulfanylacetamide
CID 2486887
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-phenylsulfanylacetohydrazide
CID 7037418
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
N-(5-amino-3-methyl-2-pyridinyl)-2-phenylsulfanylacetamide
CID 112555487
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide (CID 79026184) is N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cnc(Br)cn1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is GVSPRHWDWQXFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3OS/c13-10-6-15-11(7-14-10)16-12(17)8-18-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16,17).
What are the key properties of N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide?
N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide has a molecular weight of 324.20 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 79026184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).