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Home Aminos 4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid

4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid

CAS No.:
869634-04-8
Catalog Number:
AG019OM8
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
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Product Description
Catalog Number:
AG019OM8
Chemical Name:
4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CAS Number:
869634-04-8
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
MDL Number:
MFCD05233629
IUPAC Name:
4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
InChI:
InChI=1S/C13H14N2O2S/c16-12(17)7-4-8-14-13-15-11(9-18-13)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)
InChI Key:
IMNKPPYHTUWMSR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1scc(n1)c1ccccc1
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties