(2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane

C185H183ClF15N47O30S10 — CID 159696196

About (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane

(2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane (PubChem CID 159696196) has the molecular formula C185H183ClF15N47O30S10 and a molecular weight of 4185.89 g/mol. Its IUPAC name is (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane.

Molecular Properties

• Compound Name: (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane
• PubChem CID: 159696196
• Molecular Formula: C185H183ClF15N47O30S10
• Molecular Weight: 4185.89 g/mol
• Exact Mass: 4182.09
• IUPAC Name: (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane
• SMILES: CC1(CN2CCc3nc(-c4ccc(F)c(F)c4)ccc3C2=O)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)c(C#N)cc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)c(Cl)cc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(Nc4ccc(F)cc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(Oc4ccc(F)cc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1.Cc1cc(-c2ccc(F)c(F)c2)nc2c1CN(C[C@@]1(C)Cn3cc([N+](=O)[O-])nc3O1)CC2.S.S.S.S.S.S.S.S
• InChI: InChI=1S/C22H18F2N6O3.C22H21F2N5O3.C21H18ClF2N5O3.C21H17F2N5O4.C21H21FN6O3.C21H20FN5O4.C19H17F2N5O4.C19H17F2N5O3S.C19H18FN5O3S.8H2S/c1-22(12-29-10-19(30(31)32)27-21(29)33-22)11-28-5-4-18-15(9-28)6-14(8-25)20(26-18)13-2-3-16(23)17(24)7-13;1-13-7-19(14-3-4-16(23)17(24)8-14)25-18-5-6-27(9-15(13)18)11-22(2)12-28-10-20(29(30)31)26-21(28)32-22;1-21(11-28-9-18(29(30)31)26-20(28)32-21)10-27-5-4-17-13(8-27)6-14(22)19(25-17)12-2-3-15(23)16(24)7-12;1-21(11-27-9-18(28(30)31)25-20(27)32-21)10-26-7-6-17-13(19(26)29)3-5-16(24-17)12-2-4-14(22)15(23)8-12;1-21(13-27-11-19(28(29)30)25-20(27)31-21)12-26-9-8-17-14(10-26)2-7-18(24-17)23-16-5-3-15(22)4-6-16;1-21(13-26-11-18(27(28)29)24-20(26)31-21)12-25-9-8-17-14(10-25)2-7-19(23-17)30-16-5-3-15(22)4-6-16;1-19(10-25-8-16(26(27)28)23-18(25)30-19)9-24-5-4-14-15(7-24)29-17(22-14)11-2-3-12(20)13(21)6-11;1-19(10-25-8-16(26(27)28)23-18(25)29-19)9-24-5-4-14-15(7-24)30-17(22-14)11-2-3-12(20)13(21)6-11;1-19(11-24-9-16(25(26)27)22-18(24)28-19)10-23-7-6-14-15(8-23)29-17(21-14)12-2-4-13(20)5-3-12;;;;;;;;/h2-3,6-7,10H,4-5,9,11-12H2,1H3;3-4,7-8,10H,5-6,9,11-12H2,1-2H3;2-3,6-7,9H,4-5,8,10-11H2,1H3;2-5,8-9H,6-7,10-11H2,1H3;2-7,11H,8-10,12-13H2,1H3,(H,23,24);2-7,11H,8-10,12-13H2,1H3;2*2-3,6,8H,4-5,7,9-10H2,1H3;2-5,9H,6-8,10-11H2,1H3;8*1H2/t2*22-;21-;;2*21-;3*19-;;;;;;;;/m000.00000......../s1
• InChIKey: MXARAYSWZMRFKR-LDQRMBLESA-N
• XLogP: 30.94
• TPSA: 852.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 69
• Rotatable Bonds: 38
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4185.89
LogP ≤ 5	30.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	69

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane?

The IUPAC name of (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane (CID 159696196) is (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane.

What is the SMILES notation for (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane?

The canonical SMILES for (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane is CC1(CN2CCc3nc(-c4ccc(F)c(F)c4)ccc3C2=O)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)c(C#N)cc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)c(Cl)cc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)c(F)c4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(-c4ccc(F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(Nc4ccc(F)cc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3nc(Oc4ccc(F)cc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1.Cc1cc(-c2ccc(F)c(F)c2)nc2c1CN(C[C@@]1(C)Cn3cc([N+](=O)[O-])nc3O1)CC2.S.S.S.S.S.S.S.S.

What is the InChIKey of (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane?

The InChIKey is MXARAYSWZMRFKR-LDQRMBLESA-N. The full InChI is InChI=1S/C22H18F2N6O3.C22H21F2N5O3.C21H18ClF2N5O3.C21H17F2N5O4.C21H21FN6O3.C21H20FN5O4.C19H17F2N5O4.C19H17F2N5O3S.C19H18FN5O3S.8H2S/c1-22(12-29-10-19(30(31)32)27-21(29)33-22)11-28-5-4-18-15(9-28)6-14(8-25)20(26-18)13-2-3-16(23)17(24)7-13;1-13-7-19(14-3-4-16(23)17(24)8-14)25-18-5-6-27(9-15(13)18)11-22(2)12-28-10-20(29(30)31)26-21(28)32-22;1-21(11-28-9-18(29(30)31)26-20(28)32-21)10-27-5-4-17-13(8-27)6-14(22)19(25-17)12-2-3-15(23)16(24)7-12;1-21(11-27-9-18(28(30)31)25-20(27)32-21)10-26-7-6-17-13(19(26)29)3-5-16(24-17)12-2-4-14(22)15(23)8-12;1-21(13-27-11-19(28(29)30)25-20(27)31-21)12-26-9-8-17-14(10-26)2-7-18(24-17)23-16-5-3-15(22)4-6-16;1-21(13-26-11-18(27(28)29)24-20(26)31-21)12-25-9-8-17-14(10-25)2-7-19(23-17)30-16-5-3-15(22)4-6-16;1-19(10-25-8-16(26(27)28)23-18(25)30-19)9-24-5-4-14-15(7-24)29-17(22-14)11-2-3-12(20)13(21)6-11;1-19(10-25-8-16(26(27)28)23-18(25)29-19)9-24-5-4-14-15(7-24)30-17(22-14)11-2-3-12(20)13(21)6-11;1-19(11-24-9-16(25(26)27)22-18(24)28-19)10-23-7-6-14-15(8-23)29-17(21-14)12-2-4-13(20)5-3-12;;;;;;;;/h2-3,6-7,10H,4-5,9,11-12H2,1H3;3-4,7-8,10H,5-6,9,11-12H2,1-2H3;2-3,6-7,9H,4-5,8,10-11H2,1H3;2-5,8-9H,6-7,10-11H2,1H3;2-7,11H,8-10,12-13H2,1H3,(H,23,24);2-7,11H,8-10,12-13H2,1H3;2*2-3,6,8H,4-5,7,9-10H2,1H3;2-5,9H,6-8,10-11H2,1H3;8*1H2/t2*22-;21-;;2*21-;3*19-;;;;;;;;/m000.00000......../s1.

What are the key properties of (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane?

(2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane has a molecular weight of 4185.89 g/mol, XLogP of 30.94, 38 rotatable bonds, 1 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[3-chloro-2-(3,4-difluorophenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3,4-difluorophenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(3,4-difluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile;2-(3,4-difluorophenyl)-6-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-7,8-dihydro-1,6-naphthyridin-5-one;2-(3,4-difluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;(2S)-2-[[2-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;N-(4-fluorophenyl)-6-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;sulfane is sourced from PubChem (CID 159696196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).