4-(3,4-Difluorophenyl)-1,3-thiazol-2-amine

C₉H₆F₂N₂SCAS 175135-32-7212.22 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₆F₂N₂S
Molar mass: 212.22 g/mol
Exact mass: 212.0220 Da
logP: 2.67Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

175135-32-7

SMILES

C1=CC(=C(C=C1C2=CSC(=N2)N)F)F

InChIKey

NDCSJUJQMRFHEX-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)

Weigh it out

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

Names and synonyms

1 names

2-Amino-4-(3,4-difluorophenyl)thiazole

Work with 4-(3,4-Difluorophenyl)-1,3-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

4-(4-Fluorophenyl)-1,3-thiazol-2-amine77815-14-663 % similar 4-(3,4-Dimethyl-phenyl)-thiazol-2-ylamine104296-00-659 % similar 2-Amino-4-(3,4-dichlorophenyl)thiazole39893-80-658 % similar 4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine2103-91-554 % similar 4-(4-Bromophenyl)-1,3-thiazol-2-amine2103-94-854 % similar 4-Pyridin-4-yl-thiazol-2-ylamine30235-28-053 % similar 4-(3-Bromo-phenyl)-thiazol-2-ylamine105512-81-053 % similar 4-(9H-Fluoren-2-yl)-1,3-thiazol-2-amine299438-56-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook