5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol

C₇H₅N₃OSCAS 15264-63-8179.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅N₃OS
Molar mass: 179.20 g/mol
Exact mass: 179.0153 Da
logP: 1.79Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

15264-63-8

SMILES

C1=CN=CC=C1C2=NNC(=S)O2

InChIKey

TXCXZVFDWQYTIC-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h1-4H,(H,10,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol

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

2-Amino-5-phenyl-1,3,4-oxadiazole1612-76-638 % similar 4,4'-Bipyridine553-26-437 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-736 % similar 4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]4329-78-634 % similar 4-Phenylpyridine939-23-132 % similar Tetra(4-pyridyl)porphyrin16834-13-230 % similar

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

Elsewhere

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