2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol

C44H53ClF2N14O4S4 — CID 158667615

About 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol

2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol (PubChem CID 158667615) has the molecular formula C44H53ClF2N14O4S4 and a molecular weight of 1043.72 g/mol. Its IUPAC name is 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol.

Molecular Properties

• Compound Name: 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
• PubChem CID: 158667615
• Molecular Formula: C44H53ClF2N14O4S4
• Molecular Weight: 1043.72 g/mol
• Exact Mass: 1042.29
• IUPAC Name: 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
• SMILES: CC(C)c1noc(N2CCC([C@H](C)O)CC2)n1.CSc1ccc(-c2cn3nc(Cl)sc3n2)c(F)n1.CSc1ccc(-c2cn3nc(O[C@H](C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)c(F)n1
• InChI: InChI=1S/C22H26FN7O2S2.C12H21N3O2.C10H6ClFN4S2/c1-12(2)19-26-20(32-28-19)29-9-7-14(8-10-29)13(3)31-22-27-30-11-16(24-21(30)34-22)15-5-6-17(33-4)25-18(15)23;1-8(2)11-13-12(17-14-11)15-6-4-10(5-7-15)9(3)16;1-17-7-3-2-5(8(12)14-7)6-4-16-10(13-6)18-9(11)15-16/h5-6,11-14H,7-10H2,1-4H3;8-10,16H,4-7H2,1-3H3;2-4H,1H3/t13-;9-;/m10./s1
• InChIKey: IDOCJPWUSDXQMA-WAGMYSKYSA-N
• XLogP: 10.06
• TPSA: 199.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.72
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol?

The IUPAC name of 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol (CID 158667615) is 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol.

What is the SMILES notation for 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol?

The canonical SMILES for 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol is CC(C)c1noc(N2CCC([C@H](C)O)CC2)n1.CSc1ccc(-c2cn3nc(Cl)sc3n2)c(F)n1.CSc1ccc(-c2cn3nc(O[C@H](C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)c(F)n1.

What is the InChIKey of 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol?

The InChIKey is IDOCJPWUSDXQMA-WAGMYSKYSA-N. The full InChI is InChI=1S/C22H26FN7O2S2.C12H21N3O2.C10H6ClFN4S2/c1-12(2)19-26-20(32-28-19)29-9-7-14(8-10-29)13(3)31-22-27-30-11-16(24-21(30)34-22)15-5-6-17(33-4)25-18(15)23;1-8(2)11-13-12(17-14-11)15-6-4-10(5-7-15)9(3)16;1-17-7-3-2-5(8(12)14-7)6-4-16-10(13-6)18-9(11)15-16/h5-6,11-14H,7-10H2,1-4H3;8-10,16H,4-7H2,1-3H3;2-4H,1H3/t13-;9-;/m10./s1.

What are the key properties of 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol?

2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol has a molecular weight of 1043.72 g/mol, XLogP of 10.06, 12 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazole;5-[4-[(1R)-1-[6-(2-fluoro-6-methylsulfanyl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;(1S)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 158667615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).