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251573-63-4

251573-63-4 | 1-Propanone, 2-amino-3-(1H-imidazol-5-yl)-1-(3-thiazolidinyl)-, (2S)-

CAS No: 251573-63-4 Catalog No: AG002QOS MDL No:

Product Description

Catalog Number:
AG002QOS
Chemical Name:
1-Propanone, 2-amino-3-(1H-imidazol-5-yl)-1-(3-thiazolidinyl)-, (2S)-
CAS Number:
251573-63-4
Molecular Formula:
C9H14N4OS
Molecular Weight:
226.2987
IUPAC Name:
(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(1,3-thiazolidin-3-yl)propan-1-one
InChI:
InChI=1S/C9H14N4OS/c10-8(3-7-4-11-5-12-7)9(14)13-1-2-15-6-13/h4-5,8H,1-3,6,10H2,(H,11,12)/t8-/m0/s1
InChI Key:
AOVAZQVMNSTHGG-QMMMGPOBSA-N
SMILES:
O=C([C@H](Cc1cnc[nH]1)N)N1CSCC1

Properties

Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
226.089g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
226.298g/mol
Monoisotopic Mass:
226.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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