5-(Trifluoromethyl)-1,3-benzothiazol-2-amine

C8H5F3N2SCAS 60388-38-7218.20 g/mol

Open in Covalent MOL file
FFFNSNH2
Alkyl halidePrimary amine

Properties

Molecular formula
C8H5F3N2S
Molar mass
218.20 g/mol
Exact mass
218.0126 Da
logP
2.90Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
60388-38-7
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(S2)N
InChIKey
ARKYDZKUBJMEDX-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-6-5(3-4)13-7(12)14-6/h1-3H,(H2,12,13)

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Names and synonyms

1 names
  • 2-Amino-5-trifluoromethylbenzothiazole

Work with 5-(Trifluoromethyl)-1,3-benzothiazol-2-amine

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-fluorobenzothiazole20358-07-058 % similar 5-Nitro-1,3-benzothiazol-2-amine73458-39-647 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-146 % similar 4-Amino-7-(trifluoromethyl)quinoline243666-11-743 % similar 3,4-Diaminobenzotrifluoride368-71-842 % similar 2-Amino-benzothiazole-6-carbonitrile19759-66-140 % similar 2,5-Bis(trifluoromethyl)aniline328-93-839 % similar 2,4-Bis(trifluoromethyl)aniline367-71-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-6-(trifluoromethyl)benzothiazole777-12-8

Elsewhere

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