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74959-54-9 | 1,3,4-Thiadiazol-2-amine, 5-(4-bromophenyl)-N-phenyl-
CAS No: 74959-54-9 Catalog No: AG005FZ2 MDL No:
Product Description
Catalog Number:
AG005FZ2
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-(4-bromophenyl)-N-phenyl-
CAS Number:
74959-54-9
Molecular Formula:
C14H10BrN3S
Molecular Weight:
332.2183
IUPAC Name:
5-(4-bromophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C14H10BrN3S/c15-11-8-6-10(7-9-11)13-17-18-14(19-13)16-12-4-2-1-3-5-12/h1-9H,(H,16,18)
InChI Key:
YUBDYJWAAJSUFQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nnc(s1)Nc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.978g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.219g/mol
Monoisotopic Mass:
330.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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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