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354552-23-1 | N-(6-Acetylamino-2-amino-benzothiazol-4-yl)-acetamide
CAS No: 354552-23-1 Catalog No: AG01F8C9 MDL No:
Product Description
Catalog Number:
AG01F8C9
Chemical Name:
N-(6-Acetylamino-2-amino-benzothiazol-4-yl)-acetamide
CAS Number:
354552-23-1
Molecular Formula:
C11H12N4O2S
Molecular Weight:
264.3036
IUPAC Name:
N-(4-acetamido-2-amino-1,3-benzothiazol-6-yl)acetamide
InChI:
InChI=1S/C11H12N4O2S/c1-5(16)13-7-3-8(14-6(2)17)10-9(4-7)18-11(12)15-10/h3-4H,1-2H3,(H2,12,15)(H,13,16)(H,14,17)
InChI Key:
XHGKRRSHVNGAHN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(NC(=O)C)c2c(c1)sc(n2)N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.303g/mol
Monoisotopic Mass:
264.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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