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

C20H14FN3O3S — CID 41163900

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

5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 41163900) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
• PubChem CID: 41163900
• Molecular Formula: C20H14FN3O3S
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.07
• IUPAC Name: 5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
• SMILES: O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(COc2ccc(F)cc2)o1
• InChI: InChI=1S/C20H14FN3O3S/c21-13-4-6-14(7-5-13)26-11-15-8-9-18(27-15)19(25)24-20-23-17(12-28-20)16-3-1-2-10-22-16/h1-10,12H,11H2,(H,23,24,25)
• InChIKey: ZEAYAKGPVXEFCV-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 41163900) is 5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(COc2ccc(F)cc2)o1.

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

The InChIKey is ZEAYAKGPVXEFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-13-4-6-14(7-5-13)26-11-15-8-9-18(27-15)19(25)24-20-23-17(12-28-20)16-3-1-2-10-22-16/h1-10,12H,11H2,(H,23,24,25).

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

5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 41163900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).