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1086398-06-2 | 2-Boc-5-(2-Aminothiazol-4-yl)-isoindoline
CAS No: 1086398-06-2 Catalog No: AG01FBGN MDL No:
Product Description
Catalog Number:
AG01FBGN
Chemical Name:
2-Boc-5-(2-Aminothiazol-4-yl)-isoindoline
CAS Number:
1086398-06-2
Molecular Formula:
C16H19N3O2S
Molecular Weight:
317.4060
IUPAC Name:
tert-butyl 5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroisoindole-2-carboxylate
InChI:
InChI=1S/C16H19N3O2S/c1-16(2,3)21-15(20)19-7-11-5-4-10(6-12(11)8-19)13-9-22-14(17)18-13/h4-6,9H,7-8H2,1-3H3,(H2,17,18)
InChI Key:
RTQZTNNMDZADHD-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cc(cc2)c1csc(n1)N)OC(C)(C)C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.12g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.407g/mol
Monoisotopic Mass:
317.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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