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

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

CAS No.:
1218535-97-7
Catalog Number:
AG019YM5
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
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Product Description
Catalog Number:
AG019YM5
Chemical Name:
2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CAS Number:
1218535-97-7
Molecular Formula:
C8H12N2O2S
Molecular Weight:
200.2581
MDL Number:
MFCD12176937
IUPAC Name:
2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
InChI:
InChI=1S/C8H12N2O2S/c1-3-6(7(11)12)10-8-9-5(2)4-13-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)
InChI Key:
JTJBEQLJFXCUQT-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Nc1scc(n1)C
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.062g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
200.256g/mol
Monoisotopic Mass:
200.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties