methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate

C18H17NO3S2 — CID 24534408

About methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate

methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate (PubChem CID 24534408) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate
• PubChem CID: 24534408
• Molecular Formula: C18H17NO3S2
• Molecular Weight: 359.47 g/mol
• Exact Mass: 359.06
• IUPAC Name: methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate
• SMILES: COC(=O)c1ccc(CN2CCc3sccc3C2c2cccs2)o1
• InChI: InChI=1S/C18H17NO3S2/c1-21-18(20)14-5-4-12(22-14)11-19-8-6-15-13(7-10-24-15)17(19)16-3-2-9-23-16/h2-5,7,9-10,17H,6,8,11H2,1H3
• InChIKey: XWCUPZDYSZTZIU-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 42.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.47
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate (CID 24534408) is methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate.

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

The canonical SMILES for methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2CCc3sccc3C2c2cccs2)o1.

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

The InChIKey is XWCUPZDYSZTZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-21-18(20)14-5-4-12(22-14)11-19-8-6-15-13(7-10-24-15)17(19)16-3-2-9-23-16/h2-5,7,9-10,17H,6,8,11H2,1H3.

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

methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate has a molecular weight of 359.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 24534408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).