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941869-37-0 | 2-(2-Aminothiazol-4-yl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
CAS No: 941869-37-0 Catalog No: AG01FMPO MDL No:MFCD09743137
Product Description
Catalog Number:
AG01FMPO
Chemical Name:
2-(2-Aminothiazol-4-yl)-1-(4-phenylpiperazin-1-yl)ethan-1-one
CAS Number:
941869-37-0
Molecular Formula:
C15H18N4OS
Molecular Weight:
302.3946
MDL Number:
MFCD09743137
IUPAC Name:
2-(2-amino-1,3-thiazol-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C15H18N4OS/c16-15-17-12(11-21-15)10-14(20)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h1-5,11H,6-10H2,(H2,16,17)
InChI Key:
FUXSXTLOFWEMSA-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccccc1)Cc1csc(n1)N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.396g/mol
Monoisotopic Mass:
302.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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