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828920-37-2 | Ethanone, 2-[(5-amino-2-thiazolyl)amino]-1-phenyl-
CAS No: 828920-37-2 Catalog No: AG004VVL MDL No:
Product Description
Catalog Number:
AG004VVL
Chemical Name:
Ethanone, 2-[(5-amino-2-thiazolyl)amino]-1-phenyl-
CAS Number:
828920-37-2
Molecular Formula:
C11H11N3OS
Molecular Weight:
233.2895
IUPAC Name:
2-[(5-amino-1,3-thiazol-2-yl)amino]-1-phenylethanone
InChI:
InChI=1S/C11H11N3OS/c12-10-7-14-11(16-10)13-6-9(15)8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,13,14)
InChI Key:
DUZGSZAUBKQPET-UHFFFAOYSA-N
SMILES:
Nc1cnc(s1)NCC(=O)c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.289g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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