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

Systemtic Name: N-[4-[(3R,4R,5S)-3-azanyl-5-methyl-4-oxidanyl-piperidin-1-yl]pyridin-3-yl]-2-[2,6-bis(fluoranyl)phenyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methyl-1-piperidyl]-3-pyridyl]-2-(2,6-difluorophenyl)thiazole-4-carboxamide CAS Name: N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methyl-1-piperidinyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-4-thiazolecarboxamide IUPAC Name: N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methyl-piperidino]-3-pyridyl]-2-(2,6-difluorophenyl)thiazole-4-carboxamide Formula: C21H21F2N5O2S MolecularWeight: 445.485546

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1O)N)C2=C(C=NC=C2)NC(=O)C3=CSC(=N3)C4=C(C=CC=C4F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21F2N5O2S/c1-11-8-28(9-14(24)19(11)29)17-5-6-25-7-15(17)26-20(30)16-10-31-21(27-16)18-12(22)3-2-4-13(18)23/h2-7,10-11,14,19,29H,8-9,24H2,1H3,(H,26,30)/t11-,14+,19+/m0/s1