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871266-82-9 | Thiazolo[5,4-d]pyrimidin-2-amine,7-chloro-N-[3-(trifluoromethyl)phenyl]-
CAS No: 871266-82-9 Catalog No: AG004OTO MDL No:
Product Description
Catalog Number:
AG004OTO
Chemical Name:
Thiazolo[5,4-d]pyrimidin-2-amine,7-chloro-N-[3-(trifluoromethyl)phenyl]-
CAS Number:
871266-82-9
Molecular Formula:
C12H6ClF3N4S
Molecular Weight:
330.7160
IUPAC Name:
7-chloro-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
InChI:
InChI=1S/C12H6ClF3N4S/c13-9-8-10(18-5-17-9)21-11(20-8)19-7-3-1-2-6(4-7)12(14,15)16/h1-5H,(H,19,20)
InChI Key:
FSLDFGXPKZBAFC-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1nc(s2)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.995g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.713g/mol
Monoisotopic Mass:
329.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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