1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone

C18H16N2O2S2 — CID 9075582

About 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone

1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone (PubChem CID 9075582) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone
• PubChem CID: 9075582
• Molecular Formula: C18H16N2O2S2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.07
• IUPAC Name: 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone
• SMILES: CC(=O)c1c[nH]c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1
• InChI: InChI=1S/C18H16N2O2S2/c1-11(21)12-9-14(19-10-12)18(22)20-6-4-15-13(5-8-24-15)17(20)16-3-2-7-23-16/h2-3,5,7-10,17,19H,4,6H2,1H3/t17-/m1/s1
• InChIKey: ZLSRUEBWGPQUFJ-QGZVFWFLSA-N
• XLogP: 4.13
• TPSA: 53.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone?

The IUPAC name of 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone (CID 9075582) is 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone.

What is the SMILES notation for 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone?

The canonical SMILES for 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone is CC(=O)c1c[nH]c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1.

What is the InChIKey of 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone?

The InChIKey is ZLSRUEBWGPQUFJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-11(21)12-9-14(19-10-12)18(22)20-6-4-15-13(5-8-24-15)17(20)16-3-2-7-23-16/h2-3,5,7-10,17,19H,4,6H2,1H3/t17-/m1/s1.

What are the key properties of 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone?

1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 9075582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).