Home Carboxys tert-butyl 1-[(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 1-[(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxylate

CAS No.:
1803608-89-0
Catalog Number:
AG01AGGL
Molecular Formula:
C16H25N3O2S
Molecular Weight:
323.4536
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Product Description
Catalog Number:
AG01AGGL
Chemical Name:
tert-butyl 1-[(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carboxylate
CAS Number:
1803608-89-0
Molecular Formula:
C16H25N3O2S
Molecular Weight:
323.4536
MDL Number:
MFCD28145193
IUPAC Name:
tert-butyl 2-(1,3-thiazol-2-ylmethylamino)-6-azaspiro[2.5]octane-6-carboxylate
InChI:
InChI=1S/C16H25N3O2S/c1-15(2,3)21-14(20)19-7-4-16(5-8-19)10-12(16)18-11-13-17-6-9-22-13/h6,9,12,18H,4-5,7-8,10-11H2,1-3H3
InChI Key:
YXFFHALNOHQMQY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC2NCc1nccs1)OC(C)(C)C
Properties
Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.167g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.455g/mol
Monoisotopic Mass:
323.167g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties