6-[5-azanyl-3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]-N-[(2R)-butan-2-yl]-1,3-benzothiazol-2-amine

Systemtic Name: 6-[5-azanyl-3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]-N-[(2R)-butan-2-yl]-1,3-benzothiazol-2-amine Openeye Name: 6-[5-amino-3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]-N-[(1R)-1-methylpropyl]-1,3-benzothiazol-2-amine CAS Name: 6-[5-amino-3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]-N-[(2R)-butan-2-yl]-1,3-benzothiazol-2-amine IUPAC Name: 6-[5-amino-3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-N-[(2R)-butan-2-yl]-1,3-benzothiazol-2-amine Traditional Name: [6-[5-amino-3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]-1,3-benzothiazol-2-yl]-[(1R)-1-methylpropyl]amine Formula: C21H22FN5S MolecularWeight: 395.496283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(S1)C=C(C=C2)C3=C(N(N=C3C4=CC=CC=C4F)C)N

Isomeric SMILES

CC[C@@H](C)NC1=NC2=C(S1)C=C(C=C2)C3=C(N(N=C3C4=CC=CC=C4F)C)N

InChI

InChI=1S/C21H22FN5S/c1-4-12(2)24-21-25-16-10-9-13(11-17(16)28-21)18-19(26-27(3)20(18)23)14-7-5-6-8-15(14)22/h5-12H,4,23H2,1-3H3,(H,24,25)/t12-/m1/s1