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325766-88-9

325766-88-9 | Glycine, N-2-benzothiazolyl-, hydrazide (9CI)

CAS No: 325766-88-9 Catalog No: AG00CW5U MDL No:MFCD01531980

Product Description

Catalog Number:
AG00CW5U
Chemical Name:
Glycine, N-2-benzothiazolyl-, hydrazide (9CI)
CAS Number:
325766-88-9
Molecular Formula:
C9H10N4OS
Molecular Weight:
222.2669
MDL Number:
MFCD01531980
IUPAC Name:
2-(1,3-benzothiazol-2-ylamino)acetohydrazide
InChI:
InChI=1S/C9H10N4OS/c10-13-8(14)5-11-9-12-6-3-1-2-4-7(6)15-9/h1-4H,5,10H2,(H,11,12)(H,13,14)
InChI Key:
JBLGRSVTGQVADO-UHFFFAOYSA-N
SMILES:
NNC(=O)CNc1nc2c(s1)cccc2

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
222.266g/mol
Monoisotopic Mass:
222.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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