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Home > Imidazoles > 339021-38-4
339021-38-4 | 1-{5-nitroimidazo[2,1-b][1,3]thiazol-6-yl}-4-phenylpiperazine
CAS No: 339021-38-4 Catalog No: AG00IQTR MDL No:MFCD00138987
Product Description
Catalog Number:
AG00IQTR
Chemical Name:
1-{5-nitroimidazo[2,1-b][1,3]thiazol-6-yl}-4-phenylpiperazine
CAS Number:
339021-38-4
Molecular Formula:
C15H15N5O2S
Molecular Weight:
329.3769
MDL Number:
MFCD00138987
IUPAC Name:
5-nitro-6-(4-phenylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C15H15N5O2S/c21-20(22)14-13(16-15-19(14)10-11-23-15)18-8-6-17(7-9-18)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChI Key:
JEOPJKIOUIMHIG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(nc2n1ccs2)N1CCN(CC1)c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.378g/mol
Monoisotopic Mass:
329.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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