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886498-73-3 | Ethyl [2-(Pyrimidin-2-ylamino)-thiazol-4-yl]-acetate
CAS No: 886498-73-3 Catalog No: AG01F8N0 MDL No:
Product Description
Catalog Number:
AG01F8N0
Chemical Name:
Ethyl [2-(Pyrimidin-2-ylamino)-thiazol-4-yl]-acetate
CAS Number:
886498-73-3
Molecular Formula:
C11H12N4O2S
Molecular Weight:
264.3036
IUPAC Name:
ethyl 2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]acetate
InChI:
InChI=1S/C11H12N4O2S/c1-2-17-9(16)6-8-7-18-11(14-8)15-10-12-4-3-5-13-10/h3-5,7H,2,6H2,1H3,(H,12,13,14,15)
InChI Key:
HREOHTLQJXUHND-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1csc(n1)Nc1ncccn1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.303g/mol
Monoisotopic Mass:
264.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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