morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone

C25H27F3N4O3S — CID 58791396

About morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone

morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone (PubChem CID 58791396) has the molecular formula C25H27F3N4O3S and a molecular weight of 520.58 g/mol. Its IUPAC name is morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone
• PubChem CID: 58791396
• Molecular Formula: C25H27F3N4O3S
• Molecular Weight: 520.58 g/mol
• Exact Mass: 520.18
• IUPAC Name: morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone
• SMILES: CCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)N4CCOCC4)cn3)cs2)cc1C(F)(F)F
• InChI: InChI=1S/C25H27F3N4O3S/c1-2-3-4-11-35-22-8-6-18(14-19(22)25(26,27)28)30-24-31-21(16-36-24)20-7-5-17(15-29-20)23(33)32-9-12-34-13-10-32/h5-8,14-16H,2-4,9-13H2,1H3,(H,30,31)
• InChIKey: FFEGAYBPRPTPLV-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.58
LogP ≤ 5	6.01
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 morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone?

The IUPAC name of morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone (CID 58791396) is morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone.

What is the SMILES notation for morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone?

The canonical SMILES for morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone is CCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)N4CCOCC4)cn3)cs2)cc1C(F)(F)F.

What is the InChIKey of morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone?

The InChIKey is FFEGAYBPRPTPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3S/c1-2-3-4-11-35-22-8-6-18(14-19(22)25(26,27)28)30-24-31-21(16-36-24)20-7-5-17(15-29-20)23(33)32-9-12-34-13-10-32/h5-8,14-16H,2-4,9-13H2,1H3,(H,30,31).

What are the key properties of morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone?

morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone has a molecular weight of 520.58 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for morpholin-4-yl-[6-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 58791396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).