N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C25H22FN3O3S — CID 42153919

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 42153919) has the molecular formula C25H22FN3O3S and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
• PubChem CID: 42153919
• Molecular Formula: C25H22FN3O3S
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.14
• IUPAC Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(COc2ccc(F)cc2)o1
• InChI: InChI=1S/C25H22FN3O3S/c26-18-6-8-19(9-7-18)31-16-20-10-11-22(32-20)24(30)28-25-27-21-12-13-29(15-23(21)33-25)14-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,27,28,30)
• InChIKey: FWKHYNOKAJRPSJ-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 42153919) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(COc2ccc(F)cc2)o1.

What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?

The InChIKey is FWKHYNOKAJRPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S/c26-18-6-8-19(9-7-18)31-16-20-10-11-22(32-20)24(30)28-25-27-21-12-13-29(15-23(21)33-25)14-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,27,28,30).

What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 42153919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).