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124458-18-0 | Thiazolo[5,4-c]pyridin-2-amine, 4,5,6,7-tetrahydro-N-phenyl-
CAS No: 124458-18-0 Catalog No: AG000M18 MDL No:
Product Description
Catalog Number:
AG000M18
Chemical Name:
Thiazolo[5,4-c]pyridin-2-amine, 4,5,6,7-tetrahydro-N-phenyl-
CAS Number:
124458-18-0
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
IUPAC Name:
N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
InChI:
InChI=1S/C12H13N3S/c1-2-4-9(5-3-1)14-12-15-10-6-7-13-8-11(10)16-12/h1-5,13H,6-8H2,(H,14,15)
InChI Key:
IPDMSWWPZIYBFY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1nc2c(s1)CNCC2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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