Home Nitriles 5-[(2-amino-1,3-thiazol-5-yl)methyl]-2-fluorobenzonitrile

5-[(2-amino-1,3-thiazol-5-yl)methyl]-2-fluorobenzonitrile

CAS No.:
1249786-61-5
Catalog Number:
AG01A15L
Molecular Formula:
C11H8FN3S
Molecular Weight:
233.2647
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Product Description
Catalog Number:
AG01A15L
Chemical Name:
5-[(2-amino-1,3-thiazol-5-yl)methyl]-2-fluorobenzonitrile
CAS Number:
1249786-61-5
Molecular Formula:
C11H8FN3S
Molecular Weight:
233.2647
MDL Number:
MFCD16732314
IUPAC Name:
5-[(2-amino-1,3-thiazol-5-yl)methyl]-2-fluorobenzonitrile
InChI:
InChI=1S/C11H8FN3S/c12-10-2-1-7(3-8(10)5-13)4-9-6-15-11(14)16-9/h1-3,6H,4H2,(H2,14,15)
InChI Key:
GKDMUNGCKHPJPG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1F)Cc1cnc(s1)N
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.042g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.264g/mol
Monoisotopic Mass:
233.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties