2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid

C16H17NO4S — CID 120820779

About 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid

2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid (PubChem CID 120820779) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid
• PubChem CID: 120820779
• Molecular Formula: C16H17NO4S
• Molecular Weight: 319.38 g/mol
• Exact Mass: 319.09
• IUPAC Name: 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid
• SMILES: CCc1oc(C(=O)N2CCc3sccc3C2C)cc1C(=O)O
• InChI: InChI=1S/C16H17NO4S/c1-3-12-11(16(19)20)8-13(21-12)15(18)17-6-4-14-10(9(17)2)5-7-22-14/h5,7-9H,3-4,6H2,1-2H3,(H,19,20)
• InChIKey: VXHSXUUISRIIHY-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 70.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.38
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid?

The IUPAC name of 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid (CID 120820779) is 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid.

What is the SMILES notation for 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid?

The canonical SMILES for 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid is CCc1oc(C(=O)N2CCc3sccc3C2C)cc1C(=O)O.

What is the InChIKey of 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid?

The InChIKey is VXHSXUUISRIIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-3-12-11(16(19)20)8-13(21-12)15(18)17-6-4-14-10(9(17)2)5-7-22-14/h5,7-9H,3-4,6H2,1-2H3,(H,19,20).

What are the key properties of 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid?

2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 120820779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).