2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole

C₉H₉N₃OSCAS 1014-25-1207.25 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₉H₉N₃OS
Molar mass: 207.25 g/mol
Exact mass: 207.0466 Da
logP: 1.80Crippen estimate
Polar surface area: 61.0 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

1014-25-1

SMILES

COC1=CC=C(C=C1)C2=NN=C(S2)N

InChIKey

UJBCFMCQLVRXBQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)

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Names and synonyms

1 names

5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-amine

Work with 2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole

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-(4-bromophenyl)-1,3,4-thiadiazole13178-12-657 % similar P-Anisidine104-94-942 % similar 1,4-Dimethoxybenzene150-78-741 % similar 4-Methoxybiphenyl613-37-641 % similar 4-Methoxy-1,2-phenylenediamine102-51-240 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-840 % similar 4-Methoxyaniline hydrochloride20265-97-839 % similar 4-Methoxybenzylamine2393-23-939 % similar

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

Elsewhere

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