Home Other Building Blocks 2-[2-(2-methylpropanamido)-1,3-thiazol-4-yl]acetic acid

2-[2-(2-methylpropanamido)-1,3-thiazol-4-yl]acetic acid

CAS No.:
887575-96-4
Catalog Number:
AG019V3I
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
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Product Description
Catalog Number:
AG019V3I
Chemical Name:
2-[2-(2-methylpropanamido)-1,3-thiazol-4-yl]acetic acid
CAS Number:
887575-96-4
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
MDL Number:
MFCD09048343
IUPAC Name:
2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C9H12N2O3S/c1-5(2)8(14)11-9-10-6(4-15-9)3-7(12)13/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)
InChI Key:
QNOOLSWNJYOGJF-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1scc(n1)CC(=O)O)C
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties