5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid

C17H16N2O3S2 — CID 146134819

About 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid

5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 146134819) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid
• PubChem CID: 146134819
• Molecular Formula: C17H16N2O3S2
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.06
• IUPAC Name: 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid
• SMILES: Cc1onc(CN2CCc3sccc3C2c2cccs2)c1C(=O)O
• InChI: InChI=1S/C17H16N2O3S2/c1-10-15(17(20)21)12(18-22-10)9-19-6-4-13-11(5-8-24-13)16(19)14-3-2-7-23-14/h2-3,5,7-8,16H,4,6,9H2,1H3,(H,20,21)
• InChIKey: ZEDLYBSEOOKPHW-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 66.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid?

The IUPAC name of 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid (CID 146134819) is 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid.

What is the SMILES notation for 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid?

The canonical SMILES for 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid is Cc1onc(CN2CCc3sccc3C2c2cccs2)c1C(=O)O.

What is the InChIKey of 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid?

The InChIKey is ZEDLYBSEOOKPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-10-15(17(20)21)12(18-22-10)9-19-6-4-13-11(5-8-24-13)16(19)14-3-2-7-23-14/h2-3,5,7-8,16H,4,6,9H2,1H3,(H,20,21).

What are the key properties of 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid?

5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 146134819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).