(R)-6-(p-Bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalate

C₁₃H₁₃BrN₂O₄SCAS 71461-24-0373.22 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfide

Properties

Molecular formula: C₁₃H₁₃BrN₂O₄S
Molar mass: 373.22 g/mol
Exact mass: 371.9779 Da
logP: 2.06Crippen estimate
Polar surface area: 90.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

71461-24-0

SMILES

Brc1ccc([C@@H]2CN3CCSC3=N2)cc1.O=C(O)C(=O)O

InChIKey

ZULBIBHDIQCNIS-PPHPATTJSA-N

InChI

InChI=1S/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)/t10-;/m0./s1

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Names and synonyms

1 name

Imidazo[2,1-B]thiazole, 6-(4-bromophenyl)-2,3,5,6-tetrahydro-, (6R)-, ethanedioate (1:1)

Work with (R)-6-(p-Bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid Ferric ammonium oxalate14221-47-7Salt Copper oxalate814-91-5Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Barium oxalate516-02-9Salt Caesium oxalate1068-63-9Salt

Similar compounds

Levamisole14769-73-459 % similar (+-)-Tetramisole5036-02-259 % similar Levamisole hydrochloride16595-80-555 % similar Tetramisole hydrochloride5086-74-855 % similar (S)-β-Amino-β-(4-bromophenyl)propionic acid275826-36-333 % similar (r)-3-(p-Bromophenyl)-beta-alanine479074-63-033 % similar 4-Bromomandelic acid6940-50-733 % similar 4-Bromomandelic acid7021-04-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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