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827580-41-6 | 1,3,4-Thiadiazol-2-amine, N,5-bis(4-bromophenyl)-
CAS No: 827580-41-6 Catalog No: AG005770 MDL No:
Product Description
Catalog Number:
AG005770
Chemical Name:
1,3,4-Thiadiazol-2-amine, N,5-bis(4-bromophenyl)-
CAS Number:
827580-41-6
Molecular Formula:
C14H9Br2N3S
Molecular Weight:
411.1144
IUPAC Name:
N,5-bis(4-bromophenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C14H9Br2N3S/c15-10-3-1-9(2-4-10)13-18-19-14(20-13)17-12-7-5-11(16)6-8-12/h1-8H,(H,17,19)
InChI Key:
NXUVGSMEGBVGBM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Nc1nnc(s1)c1ccc(cc1)Br
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.886g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.115g/mol
Monoisotopic Mass:
408.888g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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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