Home Aminos 4-{[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino}butanoic acid

4-{[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino}butanoic acid

CAS No.:
871217-36-6
Catalog Number:
AG019OP9
Molecular Formula:
C12H14N2O2S2
Molecular Weight:
282.3818
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Product Description
Catalog Number:
AG019OP9
Chemical Name:
4-{[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino}butanoic acid
CAS Number:
871217-36-6
Molecular Formula:
C12H14N2O2S2
Molecular Weight:
282.3818
MDL Number:
MFCD05236743
IUPAC Name:
4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]butanoic acid
InChI:
InChI=1S/C12H14N2O2S2/c1-8-4-5-10(18-8)9-7-17-12(14-9)13-6-2-3-11(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChI Key:
GYUXYYGGNQVDLU-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1csc(n1)NCCCC(=O)O
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.05g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.376g/mol
Monoisotopic Mass:
282.05g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties