N-[4-[(1R,3S,5S)-3-azanyl-5-methyl-cyclohexyl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-[(1R,3S,5S)-3-azanyl-5-methyl-cyclohexyl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[4-[(1R,3S,5S)-3-amino-5-methyl-cyclohexyl]-3-pyridyl]-2-(2,6-difluorophenyl)thiazole-4-carboxamide CAS Name: N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-4-thiazolecarboxamide IUPAC Name: N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[4-[(1R,3S,5S)-3-amino-5-methyl-cyclohexyl]-3-pyridyl]-2-(2,6-difluorophenyl)thiazole-4-carboxamide Formula: C22H22F2N4OS MolecularWeight: 428.498086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)N)C2=C(C=NC=C2)NC(=O)C3=CSC(=N3)C4=C(C=CC=C4F)F

Isomeric SMILES

C[C@H]1C[C@H](C[C@H](C1)N)C2=C(C=NC=C2)NC(=O)C3=CSC(=N3)C4=C(C=CC=C4F)F

InChI

InChI=1S/C22H22F2N4OS/c1-12-7-13(9-14(25)8-12)15-5-6-26-10-18(15)27-21(29)19-11-30-22(28-19)20-16(23)3-2-4-17(20)24/h2-6,10-14H,7-9,25H2,1H3,(H,27,29)/t12-,13+,14-/m0/s1