(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane

C149H148F14N40O26S15 — CID 157437083

About (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane

(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane (PubChem CID 157437083) has the molecular formula C149H148F14N40O26S15 and a molecular weight of 3662.05 g/mol. Its IUPAC name is (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane.

Molecular Properties

• Compound Name: (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane
• PubChem CID: 157437083
• Molecular Formula: C149H148F14N40O26S15
• Molecular Weight: 3662.05 g/mol
• Exact Mass: 3658.71
• IUPAC Name: (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane
• SMILES: C[C@]1(CN2CCc3oc(-c4ccc(F)cc4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3sc(-c4ccc(F)c(F)c4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3sc(-c4ccc(F)cc4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(C(F)(F)F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)c(F)c4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(OC(F)(F)F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4cccc(F)c4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.S.S.S.S.S.S.S.S
• InChI: InChI=1S/C19H16F3N5O4S.C19H16F3N5O3S.C19H17F2N5O3S.C19H18FN5O4.C19H18FN5O3S.C18H15F2N5O3S.2C18H16FN5O3S.8H2S/c1-18(10-26-8-15(27(28)29)24-17(26)31-18)9-25-6-13-14(7-25)32-16(23-13)11-2-4-12(5-3-11)30-19(20,21)22;1-18(10-26-8-15(27(28)29)24-17(26)30-18)9-25-6-13-14(7-25)31-16(23-13)11-2-4-12(5-3-11)19(20,21)22;1-19(10-25-8-16(26(27)28)23-18(25)29-19)9-24-5-4-15-14(7-24)22-17(30-15)11-2-3-12(20)13(21)6-11;1-19(11-24-9-16(25(26)27)22-18(24)29-19)10-23-7-6-15-14(8-23)21-17(28-15)12-2-4-13(20)5-3-12;1-19(11-24-9-16(25(26)27)22-18(24)28-19)10-23-7-6-15-14(8-23)21-17(29-15)12-2-4-13(20)5-3-12;1-18(9-24-7-15(25(26)27)22-17(24)28-18)8-23-5-13-14(6-23)29-16(21-13)10-2-3-11(19)12(20)4-10;1-18(10-23-8-15(24(25)26)21-17(23)27-18)9-22-6-13-14(7-22)28-16(20-13)11-2-4-12(19)5-3-11;1-18(10-23-8-15(24(25)26)21-17(23)27-18)9-22-6-13-14(7-22)28-16(20-13)11-3-2-4-12(19)5-11;;;;;;;;/h2-5,8H,6-7,9-10H2,1H3;2-5,8H,6-7,9-10H2,1H3;2-3,6,8H,4-5,7,9-10H2,1H3;2*2-5,9H,6-8,10-11H2,1H3;2-4,7H,5-6,8-9H2,1H3;2*2-5,8H,6-7,9-10H2,1H3;8*1H2/t2*18-;3*19-;3*18-;;;;;;;;/m00000000......../s1
• InChIKey: BRFRPVAKTDHXAE-LSIUTAMISA-N
• XLogP: 28.25
• TPSA: 712.93 Ų
• H-Bond Acceptors: 65
• Rotatable Bonds: 33
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3662.05
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	65

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The IUPAC name of (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane (CID 157437083) is (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane.

What is the SMILES notation for (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The canonical SMILES for (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane is C[C@]1(CN2CCc3oc(-c4ccc(F)cc4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3sc(-c4ccc(F)c(F)c4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2CCc3sc(-c4ccc(F)cc4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(C(F)(F)F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)c(F)c4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4ccc(OC(F)(F)F)cc4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.C[C@]1(CN2Cc3nc(-c4cccc(F)c4)sc3C2)Cn2cc([N+](=O)[O-])nc2O1.S.S.S.S.S.S.S.S.

What is the InChIKey of (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

The InChIKey is BRFRPVAKTDHXAE-LSIUTAMISA-N. The full InChI is InChI=1S/C19H16F3N5O4S.C19H16F3N5O3S.C19H17F2N5O3S.C19H18FN5O4.C19H18FN5O3S.C18H15F2N5O3S.2C18H16FN5O3S.8H2S/c1-18(10-26-8-15(27(28)29)24-17(26)31-18)9-25-6-13-14(7-25)32-16(23-13)11-2-4-12(5-3-11)30-19(20,21)22;1-18(10-26-8-15(27(28)29)24-17(26)30-18)9-25-6-13-14(7-25)31-16(23-13)11-2-4-12(5-3-11)19(20,21)22;1-19(10-25-8-16(26(27)28)23-18(25)29-19)9-24-5-4-15-14(7-24)22-17(30-15)11-2-3-12(20)13(21)6-11;1-19(11-24-9-16(25(26)27)22-18(24)29-19)10-23-7-6-15-14(8-23)21-17(28-15)12-2-4-13(20)5-3-12;1-19(11-24-9-16(25(26)27)22-18(24)28-19)10-23-7-6-15-14(8-23)21-17(29-15)12-2-4-13(20)5-3-12;1-18(9-24-7-15(25(26)27)22-17(24)28-18)8-23-5-13-14(6-23)29-16(21-13)10-2-3-11(19)12(20)4-10;1-18(10-23-8-15(24(25)26)21-17(23)27-18)9-22-6-13-14(7-22)28-16(20-13)11-2-4-12(19)5-3-11;1-18(10-23-8-15(24(25)26)21-17(23)27-18)9-22-6-13-14(7-22)28-16(20-13)11-3-2-4-12(19)5-11;;;;;;;;/h2-5,8H,6-7,9-10H2,1H3;2-5,8H,6-7,9-10H2,1H3;2-3,6,8H,4-5,7,9-10H2,1H3;2*2-5,9H,6-8,10-11H2,1H3;2-4,7H,5-6,8-9H2,1H3;2*2-5,8H,6-7,9-10H2,1H3;8*1H2/t2*18-;3*19-;3*18-;;;;;;;;/m00000000......../s1.

What are the key properties of (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane?

(2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane has a molecular weight of 3662.05 g/mol, XLogP of 28.25, 33 rotatable bonds, 0 hydrogen bond donors, and 65 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-(3,4-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(3-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-[[2-(4-fluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-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[4,5-c]pyridin-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;2-(4-fluorophenyl)-5-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethoxy)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;(2S)-2-methyl-6-nitro-2-[[2-[4-(trifluoromethyl)phenyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole;sulfane is sourced from PubChem (CID 157437083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).