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Mirabegron Impurity D

CAT: 1299-RM-M154204-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M154204-02Size:25 mg
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CAS Number
2036283-13-1
Synonyms
2- (2- (2- (2-aminothiazol-4-yl) acetamido) thiazol-4-yl) acetic acid
Molecular Formula
C10H10N4O3S2
Molecular Weight
298.34
Target Alternative Name
Mirabegron
Product Name Synonym
2- (2- (2- (2-aminothiazol-4-yl) acetamido) thiazol-4-yl) acetic acid

Chemical Information

2-[[2-2(2-Amino-4-thiazolyl)acetyl]amino]-4-thiazoleacetic Acid
CAS Number2036283-13-1
PubChem CID22117249
IUPAC Name2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
Molecular FormulaC10H10N4O3S2
Molecular Weight298.3
XLogP0.3
Topological Polar Surface Area175
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity358
SMILES
C1=C(N=C(S1)N)CC(=O)NC2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C10H10N4O3S2/c11-9-12-5(3-18-9)1-7(15)14-10-13-6(4-19-10)2-8(16)17/h3-4H,1-2H2,(H2,11,12)(H,16,17)(H,13,14,15)
InChIKey
BWQNIGDPLBVJBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[2-2(2-Amino-4-thiazolyl)acetyl]amino]-4-thiazoleacetic Acid
CAS: 2036283-13-1
CID: 22117249
Formula: C10H10N4O3S2
MW: 298.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.3
XLogP30.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass298.01943254
Monoisotopic Mass298.01943254
Topological Polar Surface Area175 Ų
Heavy Atom Count19
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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