5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C26H29N5O3S2 — CID 145380271

About 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 145380271) has the molecular formula C26H29N5O3S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• PubChem CID: 145380271
• Molecular Formula: C26H29N5O3S2
• Molecular Weight: 523.68 g/mol
• Exact Mass: 523.17
• IUPAC Name: 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
• SMILES: CC(C=C1CCN(c2nc(C(C)C)no2)CC1)Oc1nc2ccc(-c3ccc(S(C)=O)cc3)nc2s1
• InChI: InChI=1S/C26H29N5O3S2/c1-16(2)23-29-25(34-30-23)31-13-11-18(12-14-31)15-17(3)33-26-28-22-10-9-21(27-24(22)35-26)19-5-7-20(8-6-19)36(4)32/h5-10,15-17H,11-14H2,1-4H3
• InChIKey: XEHFDFLSFGGBJF-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 94.24 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.68
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 145380271) is 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C=C1CCN(c2nc(C(C)C)no2)CC1)Oc1nc2ccc(-c3ccc(S(C)=O)cc3)nc2s1.

What is the InChIKey of 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

The InChIKey is XEHFDFLSFGGBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S2/c1-16(2)23-29-25(34-30-23)31-13-11-18(12-14-31)15-17(3)33-26-28-22-10-9-21(27-24(22)35-26)19-5-7-20(8-6-19)36(4)32/h5-10,15-17H,11-14H2,1-4H3.

What are the key properties of 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?

5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 523.68 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[[5-(4-methylsulfinylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]propylidene]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 145380271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).