5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide

C23H21N3O3S — CID 56585968

About 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide

5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (PubChem CID 56585968) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
• PubChem CID: 56585968
• Molecular Formula: C23H21N3O3S
• Molecular Weight: 419.51 g/mol
• Exact Mass: 419.13
• IUPAC Name: 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(OCc2ccc(C(=O)NCc3nc(-c4ccncc4)cs3)o2)c(C)c1
• InChI: InChI=1S/C23H21N3O3S/c1-15-3-5-20(16(2)11-15)28-13-18-4-6-21(29-18)23(27)25-12-22-26-19(14-30-22)17-7-9-24-10-8-17/h3-11,14H,12-13H2,1-2H3,(H,25,27)
• InChIKey: JDQNGGUKSLCZMS-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.51
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide (CID 56585968) is 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NCc3nc(-c4ccncc4)cs3)o2)c(C)c1.

What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?

The InChIKey is JDQNGGUKSLCZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-15-3-5-20(16(2)11-15)28-13-18-4-6-21(29-18)23(27)25-12-22-26-19(14-30-22)17-7-9-24-10-8-17/h3-11,14H,12-13H2,1-2H3,(H,25,27).

What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide?

5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 56585968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).