5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C14H20N2O3S — CID 62627341

About 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 62627341) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
• PubChem CID: 62627341
• Molecular Formula: C14H20N2O3S
• Molecular Weight: 296.39 g/mol
• Exact Mass: 296.12
• IUPAC Name: 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
• SMILES: CC(C)NC(=O)CCN1CCc2sccc2C1C(=O)O
• InChI: InChI=1S/C14H20N2O3S/c1-9(2)15-12(17)4-7-16-6-3-11-10(5-8-20-11)13(16)14(18)19/h5,8-9,13H,3-4,6-7H2,1-2H3,(H,15,17)(H,18,19)
• InChIKey: WBFBKBIAWPAJEW-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.39
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?

The IUPAC name of 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 62627341) is 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

What is the SMILES notation for 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?

The canonical SMILES for 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is CC(C)NC(=O)CCN1CCc2sccc2C1C(=O)O.

What is the InChIKey of 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?

The InChIKey is WBFBKBIAWPAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(2)15-12(17)4-7-16-6-3-11-10(5-8-20-11)13(16)14(18)19/h5,8-9,13H,3-4,6-7H2,1-2H3,(H,15,17)(H,18,19).

What are the key properties of 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?

5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-oxo-3-(propan-2-ylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 62627341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).