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306935-14-8 | Piperazine, 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-
CAS No: 306935-14-8 Catalog No: AG0030V2 MDL No:MFCD00115115
Product Description
Catalog Number:
AG0030V2
Chemical Name:
Piperazine, 1-(3-phenyl-1,2,4-thiadiazol-5-yl)-
CAS Number:
306935-14-8
Molecular Formula:
C12H14N4S
Molecular Weight:
246.3314
MDL Number:
MFCD00115115
IUPAC Name:
3-phenyl-5-piperazin-1-yl-1,2,4-thiadiazole
InChI:
InChI=1S/C12H14N4S/c1-2-4-10(5-3-1)11-14-12(17-15-11)16-8-6-13-7-9-16/h1-5,13H,6-9H2
InChI Key:
UMFMHSLRNJBGKO-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1snc(n1)c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.332g/mol
Monoisotopic Mass:
246.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Design and synthesis of DPP-IV inhibitors lacking the electrophilic nitrile group. | Bioorganic & medicinal chemistry 20080215 |
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