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Home > Thiazole > 1422137-03-8
1422137-03-8 | (3aR,5S,7aR)-5-(((2-methylthiazol-4-yl)methoxy)methyl)octahydropyrano[3,2-b]pyrrole
CAS No: 1422137-03-8 Catalog No: AG01DIAM MDL No:
Product Description
Catalog Number:
AG01DIAM
Chemical Name:
(3aR,5S,7aR)-5-(((2-methylthiazol-4-yl)methoxy)methyl)octahydropyrano[3,2-b]pyrrole
CAS Number:
1422137-03-8
Molecular Formula:
C13H20N2O2S
Molecular Weight:
268.3751
IUPAC Name:
(3aR,5S,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
InChI:
InChI=1S/C13H20N2O2S/c1-9-15-10(8-18-9)6-16-7-11-2-3-12-13(17-11)4-5-14-12/h8,11-14H,2-7H2,1H3/t11-,12+,13+/m0/s1
InChI Key:
LSPVDZHJZBUIBA-YNEHKIRRSA-N
SMILES:
Cc1nc(cs1)COC[C@@H]1CC[C@@H]2[C@H](O1)CCN2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
268.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.375g/mol
Monoisotopic Mass:
268.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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