Home Carboxys tert-butyl 3-[(1,3-thiazol-2-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[(1,3-thiazol-2-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS No.:
1515578-92-3
Catalog Number:
AG01EHVQ
Molecular Formula:
C15H23N3O2S
Molecular Weight:
309.4270
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Product Description
Catalog Number:
AG01EHVQ
Chemical Name:
tert-butyl 3-[(1,3-thiazol-2-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CAS Number:
1515578-92-3
Molecular Formula:
C15H23N3O2S
Molecular Weight:
309.4270
MDL Number:
MFCD31615732
IUPAC Name:
tert-butyl 3-(1,3-thiazol-2-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C15H23N3O2S/c1-15(2,3)20-14(19)18-11-4-5-12(18)9-10(8-11)17-13-16-6-7-21-13/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,16,17)
InChI Key:
GHIUTWNXAQCFTR-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCC1CC(C2)Nc1nccs1)OC(C)(C)C
Properties
Complexity:
385  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.151g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.428g/mol
Monoisotopic Mass:
309.151g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties