2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one

C20H18N2O3S — CID 121154299

About 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one

2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one (PubChem CID 121154299) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one.

Molecular Properties

• Compound Name: 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one
• PubChem CID: 121154299
• Molecular Formula: C20H18N2O3S
• Molecular Weight: 366.44 g/mol
• Exact Mass: 366.10
• IUPAC Name: 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one
• SMILES: O=C(c1cc(=O)c2ccccc2o1)N1CC(N2CCc3sccc3C2)C1
• InChI: InChI=1S/C20H18N2O3S/c23-16-9-18(25-17-4-2-1-3-15(16)17)20(24)22-11-14(12-22)21-7-5-19-13(10-21)6-8-26-19/h1-4,6,8-9,14H,5,7,10-12H2
• InChIKey: HFIUZJIBVAIIKQ-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 53.76 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.44
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one?

The IUPAC name of 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one (CID 121154299) is 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one.

What is the SMILES notation for 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one?

The canonical SMILES for 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CC(N2CCc3sccc3C2)C1.

What is the InChIKey of 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one?

The InChIKey is HFIUZJIBVAIIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-16-9-18(25-17-4-2-1-3-15(16)17)20(24)22-11-14(12-22)21-7-5-19-13(10-21)6-8-26-19/h1-4,6,8-9,14H,5,7,10-12H2.

What are the key properties of 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one?

2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one has a molecular weight of 366.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 121154299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).