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862975-05-1 | N-Benzyl-4-fluorobenzo[d]thiazol-2-amine
CAS No: 862975-05-1 Catalog No: AG01FMZW MDL No:MFCD05892684
Product Description
Catalog Number:
AG01FMZW
Chemical Name:
N-Benzyl-4-fluorobenzo[d]thiazol-2-amine
CAS Number:
862975-05-1
Molecular Formula:
C14H11FN2S
Molecular Weight:
258.3139
MDL Number:
MFCD05892684
IUPAC Name:
N-benzyl-4-fluoro-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C14H11FN2S/c15-11-7-4-8-12-13(11)17-14(18-12)16-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChI Key:
KLWLVMAXCMSZCH-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1nc(s2)NCc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.314g/mol
Monoisotopic Mass:
258.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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