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924229-14-1 | 4-[2-(piperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile
CAS No: 924229-14-1 Catalog No: AG019KCJ MDL No:MFCD08691319
Product Description
Catalog Number:
AG019KCJ
Chemical Name:
4-[2-(piperazin-1-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzonitrile
CAS Number:
924229-14-1
Molecular Formula:
C15H14N6S
Molecular Weight:
310.3769
MDL Number:
MFCD08691319
IUPAC Name:
4-(2-piperazin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
InChI:
InChI=1S/C15H14N6S/c16-9-11-1-3-12(4-2-11)13-10-21-14(18-13)22-15(19-21)20-7-5-17-6-8-20/h1-4,10,17H,5-8H2
InChI Key:
RWSUBJBCDURKAA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nc2n(c1)nc(s2)N1CCNCC1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.379g/mol
Monoisotopic Mass:
310.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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