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827580-68-7 | 1,3,4-Thiadiazol-2-amine, N-(4-fluorophenyl)-5-(4-nitrophenyl)-
CAS No: 827580-68-7 Catalog No: AG00576Y MDL No:
Product Description
Catalog Number:
AG00576Y
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-(4-fluorophenyl)-5-(4-nitrophenyl)-
CAS Number:
827580-68-7
Molecular Formula:
C14H9FN4O2S
Molecular Weight:
316.3103
IUPAC Name:
N-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C14H9FN4O2S/c15-10-3-5-11(6-4-10)16-14-18-17-13(22-14)9-1-7-12(8-2-9)19(20)21/h1-8H,(H,16,18)
InChI Key:
UUKJBCHREVKSLX-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Nc1nnc(s1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.043g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.31g/mol
Monoisotopic Mass:
316.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 1,3,4-thiadiazole derivatives. Synthesis, structure elucidation, and structure-antituberculosis activity relationship investigation. | Journal of medicinal chemistry 20041230 |
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