1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine

C13H14FN3S — CID 63818342

IUPAC1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2cnccn2)c(F)c1
InChIInChI=1S/C13H14FN3S/c1-9(15)6-10-2-3-12(11(14)7-10)18-13-8-16-4-5-17-13/h2-5,7-9H,6,15H2,1H3
InChIKeyOZUSRULCQFPITD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.66
Rot. Bonds4

About 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine

1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine (PubChem CID 63818342) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
PubChem CID63818342
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2cnccn2)c(F)c1
InChIInChI=1S/C13H14FN3S/c1-9(15)6-10-2-3-12(11(14)7-10)18-13-8-16-4-5-17-13/h2-5,7-9H,6,15H2,1H3
InChIKeyOZUSRULCQFPITD-UHFFFAOYSA-N
XLogP2.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943756
(1R)-1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 55247163
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)ethanol
CID 63835439
1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 114866356
2-[4-(2-aminopropyl)-2-fluorophenyl]sulfanyl-1H-pyrimidin-6-one
CID 63818453
(1R)-1-(5-fluoro-2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943750
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341
1-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
CID 63820349
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63818502
1-(3-fluoro-4-thiophen-2-ylsulfanylphenyl)propan-2-amine
CID 63836234
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
(1S)-1-(3-bromo-4-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 63380539

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine (CID 63818342) is 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine is CC(N)Cc1ccc(Sc2cnccn2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine?
The InChIKey is OZUSRULCQFPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-9(15)6-10-2-3-12(11(14)7-10)18-13-8-16-4-5-17-13/h2-5,7-9H,6,15H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine?
1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyrazin-2-ylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 63818342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).