CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)F
Nom: 5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)F

Molecular Processing

Molecular formula
C14H12FN5S
Molecular weight
301.35
Exact mass
301.0797
XLogP
3.37
TPSA
76.72
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
81.97

Supplementary Information

InChIKey: DYAOQVBIIIYGOZ-UHFFFAOYSA-N
Synonymes
SCHEMBL2076190DYAOQVBIIIYGOZ-UHFFFAOYSA-N[4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-fluoro-phenyl)-amine
Voir la source →
Impliqué dans 11 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→