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

C18H22N2OS2 — CID 47064392

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCC1c1cccs1)N1CCc2sccc2C1
InChIInChI=1S/C18H22N2OS2/c21-18(20-9-5-16-14(13-20)7-12-23-16)6-10-19-8-1-3-15(19)17-4-2-11-22-17/h2,4,7,11-12,15H,1,3,5-6,8-10,13H2
InChIKeyOPVXRALQUYOBDH-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.92
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 47064392) has the molecular formula C18H22N2OS2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID47064392
Molecular FormulaC18H22N2OS2
Molecular Weight346.52 g/mol
Exact Mass346.12
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCN1CCCC1c1cccs1)N1CCc2sccc2C1
InChIInChI=1S/C18H22N2OS2/c21-18(20-9-5-16-14(13-20)7-12-23-16)6-10-19-8-1-3-15(19)17-4-2-11-22-17/h2,4,7,11-12,15H,1,3,5-6,8-10,13H2
InChIKeyOPVXRALQUYOBDH-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one (CID 47064392) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one is O=C(CCN1CCCC1c1cccs1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is OPVXRALQUYOBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS2/c21-18(20-9-5-16-14(13-20)7-12-23-16)6-10-19-8-1-3-15(19)17-4-2-11-22-17/h2,4,7,11-12,15H,1,3,5-6,8-10,13H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 346.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 47064392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).