[5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride

C18H19ClFNO3S — CID 171381090

About [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride

[5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride (PubChem CID 171381090) has the molecular formula C18H19ClFNO3S and a molecular weight of 383.87 g/mol. Its IUPAC name is [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride.

Molecular Properties

• Compound Name: [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
• PubChem CID: 171381090
• Molecular Formula: C18H19ClFNO3S
• Molecular Weight: 383.87 g/mol
• Exact Mass: 383.08
• IUPAC Name: [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride
• SMILES: CC(=O)Oc1cc2c(s1)CCN(C(C(C)=O)c1ccccc1F)C2.Cl
• InChI: InChI=1S/C18H18FNO3S.ClH/c1-11(21)18(14-5-3-4-6-15(14)19)20-8-7-16-13(10-20)9-17(24-16)23-12(2)22;/h3-6,9,18H,7-8,10H2,1-2H3;1H
• InChIKey: XAMDXAUCBSUOHQ-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 46.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.87
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride?

The IUPAC name of [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride (CID 171381090) is [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride.

What is the SMILES notation for [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride?

The canonical SMILES for [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride is CC(=O)Oc1cc2c(s1)CCN(C(C(C)=O)c1ccccc1F)C2.Cl.

What is the InChIKey of [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride?

The InChIKey is XAMDXAUCBSUOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S.ClH/c1-11(21)18(14-5-3-4-6-15(14)19)20-8-7-16-13(10-20)9-17(24-16)23-12(2)22;/h3-6,9,18H,7-8,10H2,1-2H3;1H.

What are the key properties of [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride?

[5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride has a molecular weight of 383.87 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[1-(2-fluorophenyl)-2-oxopropyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate;hydrochloride is sourced from PubChem (CID 171381090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).