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477855-03-1 | 2-{[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methylidene}propanedinitrile
CAS No: 477855-03-1 Catalog No: AG00IPP0 MDL No:MFCD01814547
Product Description
Catalog Number:
AG00IPP0
Chemical Name:
2-{[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methylidene}propanedinitrile
CAS Number:
477855-03-1
Molecular Formula:
C13H14N4OS
Molecular Weight:
274.3415
MDL Number:
MFCD01814547
IUPAC Name:
2-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methylidene]propanedinitrile
InChI:
InChI=1S/C13H14N4OS/c1-9-7-17(8-10(2)18-9)13-16-6-12(19-13)3-11(4-14)5-15/h3,6,9-10H,7-8H2,1-2H3
InChI Key:
ABQQEGYUXQPGPF-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cnc(s1)N1CC(C)OC(C1)C)C#N
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.342g/mol
Monoisotopic Mass:
274.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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