N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide

C27H25N3O3S — CID 108749961

About N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide (PubChem CID 108749961) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide.

Molecular Properties

• Compound Name: N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide
• PubChem CID: 108749961
• Molecular Formula: C27H25N3O3S
• Molecular Weight: 471.58 g/mol
• Exact Mass: 471.16
• IUPAC Name: N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide
• SMILES: O=C(CCCOc1ccc2ccccc2c1)Nc1nc2c(s1)CN(C(=O)c1ccccc1)CC2
• InChI: InChI=1S/C27H25N3O3S/c31-25(11-6-16-33-22-13-12-19-7-4-5-10-21(19)17-22)29-27-28-23-14-15-30(18-24(23)34-27)26(32)20-8-2-1-3-9-20/h1-5,7-10,12-13,17H,6,11,14-16,18H2,(H,28,29,31)
• InChIKey: YQQPSUFWEWTTHR-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.58
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide?

The IUPAC name of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide (CID 108749961) is N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide.

What is the SMILES notation for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide?

The canonical SMILES for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide is O=C(CCCOc1ccc2ccccc2c1)Nc1nc2c(s1)CN(C(=O)c1ccccc1)CC2.

What is the InChIKey of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide?

The InChIKey is YQQPSUFWEWTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c31-25(11-6-16-33-22-13-12-19-7-4-5-10-21(19)17-22)29-27-28-23-14-15-30(18-24(23)34-27)26(32)20-8-2-1-3-9-20/h1-5,7-10,12-13,17H,6,11,14-16,18H2,(H,28,29,31).

What are the key properties of N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide?

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide has a molecular weight of 471.58 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 108749961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).