1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide

C17H19N4O3S+ — CID 9291984

About 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide

1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide (PubChem CID 9291984) has the molecular formula C17H19N4O3S+ and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide
• PubChem CID: 9291984
• Molecular Formula: C17H19N4O3S+
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.12
• IUPAC Name: 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide
• SMILES: NC(=O)C1CC[NH+](Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)CC1
• InChI: InChI=1S/C17H18N4O3S/c18-15(22)10-3-5-21(6-4-10)8-13-19-16(23)14-11(9-25-17(14)20-13)12-2-1-7-24-12/h1-2,7,9-10H,3-6,8H2,(H2,18,22)(H,19,20,23)/p+1
• InChIKey: GMVKTWNEVLVOMW-UHFFFAOYSA-O
• XLogP: 0.52
• TPSA: 106.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide?

The IUPAC name of 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide (CID 9291984) is 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide.

What is the SMILES notation for 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide?

The canonical SMILES for 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)CC1.

What is the InChIKey of 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide?

The InChIKey is GMVKTWNEVLVOMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O3S/c18-15(22)10-3-5-21(6-4-10)8-13-19-16(23)14-11(9-25-17(14)20-13)12-2-1-7-24-12/h1-2,7,9-10H,3-6,8H2,(H2,18,22)(H,19,20,23)/p+1.

What are the key properties of 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide?

1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9291984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).