1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide

C23H24N4O3S — CID 3669458

About 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide

1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide (PubChem CID 3669458) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
• PubChem CID: 3669458
• Molecular Formula: C23H24N4O3S
• Molecular Weight: 436.54 g/mol
• Exact Mass: 436.16
• IUPAC Name: 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
• SMILES: COCCNC(=O)c1cc(-c2csc(-c3ccc(C)nc3)n2)n(Cc2ccco2)c1C
• InChI: InChI=1S/C23H24N4O3S/c1-15-6-7-17(12-25-15)23-26-20(14-31-23)21-11-19(22(28)24-8-10-29-3)16(2)27(21)13-18-5-4-9-30-18/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,24,28)
• InChIKey: FZKPOXWHMLUEHT-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.54
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?

The IUPAC name of 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide (CID 3669458) is 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide.

What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?

The canonical SMILES for 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide is COCCNC(=O)c1cc(-c2csc(-c3ccc(C)nc3)n2)n(Cc2ccco2)c1C.

What is the InChIKey of 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?

The InChIKey is FZKPOXWHMLUEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-15-6-7-17(12-25-15)23-26-20(14-31-23)21-11-19(22(28)24-8-10-29-3)16(2)27(21)13-18-5-4-9-30-18/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,24,28).

What are the key properties of 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide?

1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 3669458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).