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26526-57-8 | 1,3,4-Thiadiazol-2-amine, 5-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 26526-57-8 Catalog No: AG002TKD MDL No:
Product Description
Catalog Number:
AG002TKD
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
26526-57-8
Molecular Formula:
C12H17N3S
Molecular Weight:
235.3485
IUPAC Name:
5-(1-adamantyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C12H17N3S/c13-11-15-14-10(16-11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H2,13,15)
InChI Key:
FBIPRWDBYYCKHA-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)C12CC3CC(C2)CC(C1)C3
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.349g/mol
Monoisotopic Mass:
235.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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