chempirical

Thiazovivin

C15H13N5OSCAS 1226056-71-8311.36 g/mol

Open in Covalent MOL file
HNOSNHNNN
AmideSecondary amine

Properties

Molecular formula
C15H13N5OS
Molar mass
311.36 g/mol
Exact mass
311.0841 Da
logP
2.61Crippen estimate
Polar surface area
79.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1226056-71-8
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)NC3=NC=NC=C3
InChIKey
DOBKQCZBPPCLEG-UHFFFAOYSA-N
InChI
InChI=1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)

Weigh it out

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Work with Thiazovivin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(N-Benzylaminocarbonyl)phenylboronic acid625470-96-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook