3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole

C17H19N3OS2 — CID 24648961

About 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole

3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole (PubChem CID 24648961) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
• PubChem CID: 24648961
• Molecular Formula: C17H19N3OS2
• Molecular Weight: 345.49 g/mol
• Exact Mass: 345.10
• IUPAC Name: 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
• SMILES: CC(C)c1noc(CN2CCc3sccc3C2c2cccs2)n1
• InChI: InChI=1S/C17H19N3OS2/c1-11(2)17-18-15(21-19-17)10-20-7-5-13-12(6-9-23-13)16(20)14-4-3-8-22-14/h3-4,6,8-9,11,16H,5,7,10H2,1-2H3
• InChIKey: FUMAQFRDFRPFGD-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 42.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.49
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?

The IUPAC name of 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole (CID 24648961) is 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?

The canonical SMILES for 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole is CC(C)c1noc(CN2CCc3sccc3C2c2cccs2)n1.

What is the InChIKey of 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?

The InChIKey is FUMAQFRDFRPFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-11(2)17-18-15(21-19-17)10-20-7-5-13-12(6-9-23-13)16(20)14-4-3-8-22-14/h3-4,6,8-9,11,16H,5,7,10H2,1-2H3.

What are the key properties of 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole?

3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 345.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-propan-2-yl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24648961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).