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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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 4,4'-Dimethoxybiphenyl2132-80-147 % similar P-Anisidine104-94-942 % similar 1,4-Dimethoxybenzene150-78-741 % similar 4-Methoxybiphenyl613-37-641 % similar 5-Amino-3-(4-methoxyphenyl)pyrazole19541-95-840 % similar 4-Methoxy-1,2-phenylenediamine102-51-240 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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