chempirical

Mirabegron

C21H24N4O2SCAS 223673-61-8396.51 g/mol

Open in Covalent MOL file
NHNHOHNNHOHS
AlcoholAmideSecondary amine

Properties

Molecular formula
C21H24N4O2S
Molar mass
396.51 g/mol
Exact mass
396.1620 Da
logP
2.60Crippen estimate
Polar surface area
101.0 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
9
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
223673-61-8
SMILES
N=c1[nH]c(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
InChIKey
PBAPPPCECJKMCM-IBGZPJMESA-N
InChI
InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)/t19-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 4-Thiazoleacetamide, 2-amino-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-
  • 2-Amino-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-thiazoleacetamide
  • YM 178
  • Betanis
  • Myrbetriq
  • 2-(2-Amino-1,3-thiazol-4-yl)-N-[4-[2-[((2R)-2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
  • (R)-Mirabegron
  • 2-(2-Amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
  • Betmiga

Work with Mirabegron

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

(R)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride521284-22-043 % similar 2-Amino-4-thiazoleacetic acid29676-71-937 % similar Ethyl 2-amino-4-thiazoleacetate53266-94-732 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook