1-Benzoyl-3-(2-pyridyl)-2-thiourea

C₁₃H₁₁N₃OSCAS 4921-86-2257.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₁N₃OS
Molar mass: 257.31 g/mol
Exact mass: 257.0623 Da
logP: 2.21Crippen estimate
Polar surface area: 54.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

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

4921-86-2

SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2

InChIKey

PNBLAGJAUXZQTL-UHFFFAOYSA-N

InChI

InChI=1S/C13H11N3OS/c17-12(10-6-2-1-3-7-10)16-13(18)15-11-8-4-5-9-14-11/h1-9H,(H2,14,15,16,17,18)

Weigh it out

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Names and synonyms

1 names

N-Benzoyl-N'-(2-pyridinyl)thiourea

Work with 1-Benzoyl-3-(2-pyridyl)-2-thiourea

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

1-Benzoyl-2-thiobiuret41835-24-952 % similar 4-(Pyridin-2-yl)aminocarbonylphenylboronic acid850568-25-150 % similar 2-Pyridylthiourea14294-11-246 % similar N-2-Pyridinyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide1383385-64-544 % similar 2,2-Dimethyl-N-pyridin-2-yl-propionamide86847-59-843 % similar 2-(Boc-amino)pyridine38427-94-040 % similar N-(4-Aminophenyl)benzamide17625-83-139 % similar 2-Benzoylpyridine91-02-138 % similar

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

Elsewhere

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