2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide

C13H14N4OS — CID 106678736

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCC(Sc1nccnc1N)C(=O)Nc1ccccc1
InChIInChI=1S/C13H14N4OS/c1-9(19-13-11(14)15-7-8-16-13)12(18)17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15)(H,17,18)
InChIKeyJCGICNQLOAESGV-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.18
Rot. Bonds4

About 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide

2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide (PubChem CID 106678736) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide
PubChem CID106678736
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide
SMILESCC(Sc1nccnc1N)C(=O)Nc1ccccc1
InChIInChI=1S/C13H14N4OS/c1-9(19-13-11(14)15-7-8-16-13)12(18)17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15)(H,17,18)
InChIKeyJCGICNQLOAESGV-UHFFFAOYSA-N
XLogP2.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
(2R)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 7575727
2-(1-anilino-1-oxopropan-2-yl)sulfanylpyridine-4-carboxylic acid
CID 61298751
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 865204
N-phenyl-2-pyridin-1-ium-2-ylsulfanylpropanamide
CID 4745985
(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785038
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
ethyl 4-amino-2-[(2R)-1-anilino-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate
CID 865445
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide (CID 106678736) is 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide is CC(Sc1nccnc1N)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide?
The InChIKey is JCGICNQLOAESGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9(19-13-11(14)15-7-8-16-13)12(18)17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15)(H,17,18).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide?
2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide has a molecular weight of 274.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 106678736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).