2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

C14H14N4OS — CID 106678772

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNc1nccnc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H14N4OS/c15-13-14(17-7-6-16-13)20-9-12(19)18-8-5-10-3-1-2-4-11(10)18/h1-4,6-7H,5,8-9H2,(H2,15,16)
InChIKeyGUQJMZBTTHGENW-UHFFFAOYSA-N
MW286.36 g/mol
LogP1.74
Rot. Bonds3

About 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone

2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 106678772) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID106678772
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
SMILESNc1nccnc1SCC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H14N4OS/c15-13-14(17-7-6-16-13)20-9-12(19)18-8-5-10-3-1-2-4-11(10)18/h1-4,6-7H,5,8-9H2,(H2,15,16)
InChIKeyGUQJMZBTTHGENW-UHFFFAOYSA-N
XLogP1.74
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 712214
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 57328936
2-(4-amino-2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 43305239
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 2672568
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
1-(2,3-dihydroindol-1-yl)-2-(2-phenylquinazolin-4-yl)sulfanylethanone
CID 3181608
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
CID 7527185
2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 18275650
4-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile
CID 855484
1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4542631

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone (CID 106678772) is 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is Nc1nccnc1SCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is GUQJMZBTTHGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-13-14(17-7-6-16-13)20-9-12(19)18-8-5-10-3-1-2-4-11(10)18/h1-4,6-7H,5,8-9H2,(H2,15,16).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone?
2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 286.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 106678772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).