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875164-25-3 | (E);-N'-Hydroxy-2-(4-methylthiazol-2-yl);acetimidamide
CAS No: 875164-25-3 Catalog No: AG004HB6 MDL No:MFCD08271849
Product Description
Catalog Number:
AG004HB6
Chemical Name:
(E);-N'-Hydroxy-2-(4-methylthiazol-2-yl);acetimidamide
CAS Number:
875164-25-3
Molecular Formula:
C6H9N3OS
Molecular Weight:
171.2202
MDL Number:
MFCD08271849
IUPAC Name:
N'-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)ethanimidamide
InChI:
InChI=1S/C6H9N3OS/c1-4-3-11-6(8-4)2-5(7)9-10/h3,10H,2H2,1H3,(H2,7,9)
InChI Key:
WHPVEWYQDWITBW-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)C/C(=N\O)/N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
171.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.218g/mol
Monoisotopic Mass:
171.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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