5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C21H24FN7O2S — CID 131984563

IUPAC5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@@H](C)Oc3nn4cc(-c5ccnc(F)c5)nc4s3)CC2)n1
InChIInChI=1S/C21H24FN7O2S/c1-12(2)18-25-19(31-27-18)28-8-5-14(6-9-28)13(3)30-21-26-29-11-16(24-20(29)32-21)15-4-7-23-17(22)10-15/h4,7,10-14H,5-6,8-9H2,1-3H3/t13-/m1/s1
InChIKeyMCULWABWCBWWLQ-CYBMUJFWSA-N
MW457.54 g/mol
LogP4.18
Rot. Bonds6

About 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131984563) has the molecular formula C21H24FN7O2S and a molecular weight of 457.54 g/mol. Its IUPAC name is 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131984563
Molecular FormulaC21H24FN7O2S
Molecular Weight457.54 g/mol
Exact Mass457.17
IUPAC Name5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@@H](C)Oc3nn4cc(-c5ccnc(F)c5)nc4s3)CC2)n1
InChIInChI=1S/C21H24FN7O2S/c1-12(2)18-25-19(31-27-18)28-8-5-14(6-9-28)13(3)30-21-26-29-11-16(24-20(29)32-21)15-4-7-23-17(22)10-15/h4,7,10-14H,5-6,8-9H2,1-3H3/t13-/m1/s1
InChIKeyMCULWABWCBWWLQ-CYBMUJFWSA-N
XLogP4.18
TPSA94.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131984563) is 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC([C@@H](C)Oc3nn4cc(-c5ccnc(F)c5)nc4s3)CC2)n1.
What is the InChIKey of 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is MCULWABWCBWWLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24FN7O2S/c1-12(2)18-25-19(31-27-18)28-8-5-14(6-9-28)13(3)30-21-26-29-11-16(24-20(29)32-21)15-4-7-23-17(22)10-15/h4,7,10-14H,5-6,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 457.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R)-1-[6-(2-fluoro-4-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]oxyethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131984563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).