4-(5-Bromothiophen-2-yl)-1,3-thiazol-2-amine

C₇H₅BrN₂S₂CAS 34801-14-4261.16 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₅BrN₂S₂
Molar mass: 261.16 g/mol
Exact mass: 259.9078 Da
logP: 3.22Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

34801-14-4

SMILES

C1=C(SC(=C1)Br)C2=CSC(=N2)N

InChIKey

MMZHPDCFNLBMBY-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)

Weigh it out

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Names and synonyms

1 names

4-(5-Bromo-2-thienyl)-1,3-thiazol-2-amine

Work with 4-(5-Bromothiophen-2-yl)-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-(5-Chloro-2-thienyl)-1,3-thiazol-2-amine123971-45-961 % similar 4-Thiophen-2-yl-thiazol-2-ylamine28989-50-653 % similar 4-(4-Bromophenyl)-1,3-thiazol-2-amine2103-94-851 % similar 4-(4-Chlorothiophen-2-yl)-1,3-thiazol-2-amine570407-10-251 % similar 5,5'-Dibromo-2,2'-bithiophene4805-22-547 % similar 4-(3-Bromo-phenyl)-thiazol-2-ylamine105512-81-046 % similar 4-Pyridin-4-yl-thiazol-2-ylamine30235-28-046 % similar 5,5''-Dibromo-[2,2':5',2"]terthiohene98057-08-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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