2-Amino-5-fluorobenzothiazole

C₇H₅FN₂SCAS 20358-07-0168.19 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₅FN₂S
Molar mass: 168.19 g/mol
Exact mass: 168.0157 Da
logP: 2.02Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

20358-07-0

SMILES

C1=CC2=C(C=C1F)N=C(S2)N

InChIKey

YHBIGBYIUMCLJS-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)

Weigh it out

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

Work with 2-Amino-5-fluorobenzothiazole

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

5-Fluoro-2-methylbenzothiazole399-75-759 % similar 5-(Trifluoromethyl)-1,3-benzothiazol-2-amine60388-38-758 % similar 5-Nitro-1,3-benzothiazol-2-amine73458-39-650 % similar 2-Amino-4,6-difluorobenzothiazole119256-40-549 % similar 2-Amino-6-(trifluoromethyl)benzothiazole777-12-846 % similar 2-Amino-benzothiazole-6-carbonitrile19759-66-143 % similar 2-Chloro-6-fluorobenzothiazole399-74-642 % similar 5-Fluorobenzo-2,1,3-thiadiazole17821-75-941 % similar

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

Same formula

2-Amino-6-fluorobenzothiazole348-40-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook