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

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

CAS No.:
104344-78-7
Catalog Number:
AG019OKG
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
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Product Description
Catalog Number:
AG019OKG
Chemical Name:
4-[(1,3-benzothiazol-2-yl)amino]butanoic acid
CAS Number:
104344-78-7
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD07339185
IUPAC Name:
4-(1,3-benzothiazol-2-ylamino)butanoic acid
InChI:
InChI=1S/C11H12N2O2S/c14-10(15)6-3-7-12-11-13-8-4-1-2-5-9(8)16-11/h1-2,4-5H,3,6-7H2,(H,12,13)(H,14,15)
InChI Key:
WSZSGKXXFYVFAU-UHFFFAOYSA-N
SMILES:
OC(=O)CCCNc1nc2c(s1)cccc2
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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