2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride

C22H25ClN2O3S — CID 171667199

About 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride

2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride (PubChem CID 171667199) has the molecular formula C22H25ClN2O3S and a molecular weight of 432.97 g/mol. Its IUPAC name is 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride
• PubChem CID: 171667199
• Molecular Formula: C22H25ClN2O3S
• Molecular Weight: 432.97 g/mol
• Exact Mass: 432.13
• IUPAC Name: 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride
• SMILES: COCC(=O)N1CCc2sccc2C1c1ccc(NCc2ccc(C)o2)cc1.Cl
• InChI: InChI=1S/C22H24N2O3S.ClH/c1-15-3-8-18(27-15)13-23-17-6-4-16(5-7-17)22-19-10-12-28-20(19)9-11-24(22)21(25)14-26-2;/h3-8,10,12,22-23H,9,11,13-14H2,1-2H3;1H
• InChIKey: LBHUYOIBRRBHMC-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.97
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride?

The IUPAC name of 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride (CID 171667199) is 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride.

What is the SMILES notation for 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride?

The canonical SMILES for 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride is COCC(=O)N1CCc2sccc2C1c1ccc(NCc2ccc(C)o2)cc1.Cl.

What is the InChIKey of 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride?

The InChIKey is LBHUYOIBRRBHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S.ClH/c1-15-3-8-18(27-15)13-23-17-6-4-16(5-7-17)22-19-10-12-28-20(19)9-11-24(22)21(25)14-26-2;/h3-8,10,12,22-23H,9,11,13-14H2,1-2H3;1H.

What are the key properties of 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride?

2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride has a molecular weight of 432.97 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[4-[4-[(5-methylfuran-2-yl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone;hydrochloride is sourced from PubChem (CID 171667199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).