2-Amino-6-(trifluoromethyl)benzothiazole

C₈H₅F₃N₂SCAS 777-12-8218.20 g/mol

Open in Covalent MOL file

Alkyl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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

777-12-8

SMILES

C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N

InChIKey

WEDYEBJLWMPPOK-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)

Weigh it out

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

Work with 2-Amino-6-(trifluoromethyl)benzothiazole

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-benzothiazole-6-carbonitrile19759-66-150 % similar 2-Amino-5-fluorobenzothiazole20358-07-046 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-146 % similar 2-Amino-benzothiazole-6-carboxylic acid methyl ester66947-92-043 % similar 3,4-Diaminobenzotrifluoride368-71-842 % similar 4-Amino-7-(trifluoromethyl)quinoline243666-11-740 % similar 4-Chloro-6-(trifluoromethyl)quinoline49713-56-640 % similar 2,5-Bis(trifluoromethyl)aniline328-93-839 % similar

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

Same formula

5-(Trifluoromethyl)-1,3-benzothiazol-2-amine60388-38-7

Elsewhere

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