1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone

C17H24N6OS — CID 30936842

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (PubChem CID 30936842) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
• PubChem CID: 30936842
• Molecular Formula: C17H24N6OS
• Molecular Weight: 360.49 g/mol
• Exact Mass: 360.17
• IUPAC Name: 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone
• SMILES: CC1CCN(Cc2nnnn2CC(=O)N2CCc3sccc3C2)CC1
• InChI: InChI=1S/C17H24N6OS/c1-13-2-6-21(7-3-13)11-16-18-19-20-23(16)12-17(24)22-8-4-15-14(10-22)5-9-25-15/h5,9,13H,2-4,6-8,10-12H2,1H3
• InChIKey: UZINJLGQUFWYKN-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 67.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.49
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone (CID 30936842) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone.

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

The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is CC1CCN(Cc2nnnn2CC(=O)N2CCc3sccc3C2)CC1.

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

The InChIKey is UZINJLGQUFWYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-13-2-6-21(7-3-13)11-16-18-19-20-23(16)12-17(24)22-8-4-15-14(10-22)5-9-25-15/h5,9,13H,2-4,6-8,10-12H2,1H3.

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone has a molecular weight of 360.49 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 30936842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).