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

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

CAS No.:
937628-94-9
Catalog Number:
AG019M70
Molecular Formula:
C11H9N3S
Molecular Weight:
215.2743
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Product Description
Catalog Number:
AG019M70
Chemical Name:
3-[(2-amino-1,3-thiazol-5-yl)methyl]benzonitrile
CAS Number:
937628-94-9
Molecular Formula:
C11H9N3S
Molecular Weight:
215.2743
MDL Number:
MFCD09051013
IUPAC Name:
3-[(2-amino-1,3-thiazol-5-yl)methyl]benzonitrile
InChI:
InChI=1S/C11H9N3S/c12-6-9-3-1-2-8(4-9)5-10-7-14-11(13)15-10/h1-4,7H,5H2,(H2,13,14)
InChI Key:
SKNZXODPOJPEHV-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Cc1cnc(s1)N
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.052g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.274g/mol
Monoisotopic Mass:
215.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties