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Home Aminos 2-[(1,3-benzothiazol-2-yl)amino]propanehydrazide

2-[(1,3-benzothiazol-2-yl)amino]propanehydrazide

CAS No.:
1008922-54-0
Catalog Number:
AG019OMI
Molecular Formula:
C10H12N4OS
Molecular Weight:
236.2935
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Product Description
Catalog Number:
AG019OMI
Chemical Name:
2-[(1,3-benzothiazol-2-yl)amino]propanehydrazide
CAS Number:
1008922-54-0
Molecular Formula:
C10H12N4OS
Molecular Weight:
236.2935
MDL Number:
MFCD07343834
IUPAC Name:
2-(1,3-benzothiazol-2-ylamino)propanehydrazide
InChI:
InChI=1S/C10H12N4OS/c1-6(9(15)14-11)12-10-13-7-4-2-3-5-8(7)16-10/h2-6H,11H2,1H3,(H,12,13)(H,14,15)
InChI Key:
WYZLLODOOQMZBX-UHFFFAOYSA-N
SMILES:
NNC(=O)C(Nc1nc2c(s1)cccc2)C
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.073g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
236.293g/mol
Monoisotopic Mass:
236.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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