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727975-67-9 | 5-Piperazin-1-ylmethyl-6-p-tolyl-imidazo[2,1-b]-thiazole
CAS No: 727975-67-9 Catalog No: AG01EX62 MDL No:
Product Description
Catalog Number:
AG01EX62
Chemical Name:
5-Piperazin-1-ylmethyl-6-p-tolyl-imidazo[2,1-b]-thiazole
CAS Number:
727975-67-9
Molecular Formula:
C17H20N4S
Molecular Weight:
312.4325
IUPAC Name:
6-(4-methylphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
InChI:
InChI=1S/C17H20N4S/c1-13-2-4-14(5-3-13)16-15(12-20-8-6-18-7-9-20)21-10-11-22-17(21)19-16/h2-5,10-11,18H,6-9,12H2,1H3
InChI Key:
VVYTZIQCSDIJKC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2n(c1CN1CCNCC1)ccs2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.435g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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