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918880-51-0 | Benzonitrile, 5-thiazolo[5,4-d]pyrimidin-2-yl-2-(4-thiomorpholinyl)-
CAS No: 918880-51-0 Catalog No: AG006AO3 MDL No:
Product Description
Catalog Number:
AG006AO3
Chemical Name:
Benzonitrile, 5-thiazolo[5,4-d]pyrimidin-2-yl-2-(4-thiomorpholinyl)-
CAS Number:
918880-51-0
Molecular Formula:
C16H13N5S2
Molecular Weight:
339.4379
IUPAC Name:
5-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-thiomorpholin-4-ylbenzonitrile
InChI:
InChI=1S/C16H13N5S2/c17-8-12-7-11(1-2-14(12)21-3-5-22-6-4-21)15-20-13-9-18-10-19-16(13)23-15/h1-2,7,9-10H,3-6H2
InChI Key:
YQLIPFMUSQDNTF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCSCC1)c1nc2c(s1)ncnc2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.435g/mol
Monoisotopic Mass:
339.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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