Molecule

ID:72161

General Information

Structure

Molecular Formula

C₅H₆N₂OS

Molecular Mass

142.17894

Exact Mass

142.02008382

Charge

0

InChI

InChI=1S/C5H6N2OS/c6-5(8)1-4-2-9-3-7-4/h2-3H,1H2,(H2,6,8)

InChIKey

JJSRACWXUSIJFT-UHFFFAOYSA-N

Canonic Smiles

NC(=O)Cc1cscn1

Isomeric Smiles

s1cnc(c1)CC(=O)N

Calculated Properties

JChem

Acid pKa

14.959482

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.1515049

LogD (pH = 7.4)

-0.15130791

Log P

-0.1513054

Molar Refractivity

34.0242

Polarizability

13.074285

Polar Surface Area

55.98

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity