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925435-54-7 | N-(2-(3-(Piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)pyrazine-2-carboxamide
CAS No: 925435-54-7 Catalog No: AG006H3M MDL No:MFCD19053217
Product Description
Catalog Number:
AG006H3M
Chemical Name:
N-(2-(3-(Piperazin-1-ylmethyl)imidazo[2,1-b]thiazol-6-yl)phenyl)pyrazine-2-carboxamide
CAS Number:
925435-54-7
Molecular Formula:
C21H21N7OS
Molecular Weight:
419.5027
MDL Number:
MFCD19053217
IUPAC Name:
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]pyrazine-2-carboxamide
InChI:
InChI=1S/C21H21N7OS/c29-20(18-11-23-5-6-24-18)25-17-4-2-1-3-16(17)19-13-28-15(14-30-21(28)26-19)12-27-9-7-22-8-10-27/h1-6,11,13-14,22H,7-10,12H2,(H,25,29)
InChI Key:
JSOOSFRZJCBTHJ-UHFFFAOYSA-N
SMILES:
O=C(c1cnccn1)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.153g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.507g/mol
Monoisotopic Mass:
419.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Discovery of imidazo[1,2-b]thiazole derivatives as novel SIRT1 activators. | Journal of medicinal chemistry 20090312 |
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