5-(Trifluoromethyl)thiazol-2-amine

C₄H₃F₃N₂SCAS 169260-97-3168.14 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₄H₃F₃N₂S
Molar mass: 168.14 g/mol
Exact mass: 167.9969 Da
logP: 1.74Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

169260-97-3

SMILES

C1=C(SC(=N1)N)C(F)(F)F

InChIKey

DMGAMZGETZDLBL-UHFFFAOYSA-N

InChI

InChI=1S/C4H3F3N2S/c5-4(6,7)2-1-9-3(8)10-2/h1H,(H2,8,9)

Weigh it out

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

Names and synonyms

1 names

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

Work with 5-(Trifluoromethyl)thiazol-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

5-Fluorothiazol-2-amine hydrochloride745053-64-945 % similar 2-Aminothiazole-5-carbonitrile51640-52-939 % similar 2-Aminothiazole-5-sulfonamide63735-95-538 % similar 5-Amino-3-trifluoromethyl-1,2,4-thiadiazole35581-44-336 % similar 2-Amino-5-(trifluoromethyl)pyrazine69816-38-236 % similar 5-(Trifluoromethyl)-1,3-benzothiazol-2-amine60388-38-736 % similar 2-Amino-6-(trifluoromethyl)benzothiazole777-12-836 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Trifluoromethyl)-2-thiazolamine349-49-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook