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1141669-69-3 | Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-amino-6,7-dihydro-, phenylmethyl ester
CAS No: 1141669-69-3 Catalog No: AG000APM MDL No:MFCD11656828
Product Description
Catalog Number:
AG000APM
Chemical Name:
Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-amino-6,7-dihydro-, phenylmethyl ester
CAS Number:
1141669-69-3
Molecular Formula:
C14H15N3O2S
Molecular Weight:
289.3528
MDL Number:
MFCD11656828
IUPAC Name:
benzyl 2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
InChI:
InChI=1S/C14H15N3O2S/c15-13-16-11-6-7-17(8-12(11)20-13)14(18)19-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,15,16)
InChI Key:
WZTQWXKHLAJTRC-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)sc(n2)N)OCc1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.088g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.353g/mol
Monoisotopic Mass:
289.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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