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1002355-91-0 | Thiazolo[4,5-c]pyridine-5(4H)-carboxylic acid, 2-amino-6,7-dihydro-, 1,1-dimethylethyl ester
CAS No: 1002355-91-0 Catalog No: AG0001BI MDL No:MFCD11045435
Product Description
Catalog Number:
AG0001BI
Chemical Name:
Thiazolo[4,5-c]pyridine-5(4H)-carboxylic acid, 2-amino-6,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1002355-91-0
Molecular Formula:
C11H17N3O2S
Molecular Weight:
255.3366
MDL Number:
MFCD11045435
IUPAC Name:
tert-butyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
InChI:
InChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8/h4-6H2,1-3H3,(H2,12,13)
InChI Key:
UPBCRQUYNFQJFR-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)nc(s2)N)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.336g/mol
Monoisotopic Mass:
255.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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