1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one

C24H23F3N4O3S — CID 135363861

About 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 135363861) has the molecular formula C24H23F3N4O3S and a molecular weight of 504.53 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
• PubChem CID: 135363861
• Molecular Formula: C24H23F3N4O3S
• Molecular Weight: 504.53 g/mol
• Exact Mass: 504.14
• IUPAC Name: 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
• SMILES: O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC(c2nc(/C=N\OCc3ccccc3)cs2)CC1
• InChI: InChI=1S/C24H23F3N4O3S/c25-24(26,27)20-7-4-10-31(23(20)33)14-21(32)30-11-8-18(9-12-30)22-29-19(16-35-22)13-28-34-15-17-5-2-1-3-6-17/h1-7,10,13,16,18H,8-9,11-12,14-15H2/b28-13-
• InChIKey: QVRBCWFBNNEPKI-QDTIIGTASA-N
• XLogP: 4.28
• TPSA: 76.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.53
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?

The IUPAC name of 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one (CID 135363861) is 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?

The canonical SMILES for 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC(c2nc(/C=N\OCc3ccccc3)cs2)CC1.

What is the InChIKey of 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?

The InChIKey is QVRBCWFBNNEPKI-QDTIIGTASA-N. The full InChI is InChI=1S/C24H23F3N4O3S/c25-24(26,27)20-7-4-10-31(23(20)33)14-21(32)30-11-8-18(9-12-30)22-29-19(16-35-22)13-28-34-15-17-5-2-1-3-6-17/h1-7,10,13,16,18H,8-9,11-12,14-15H2/b28-13-.

What are the key properties of 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?

1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 504.53 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[4-[4-[(Z)-phenylmethoxyiminomethyl]-1,3-thiazol-2-yl]piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 135363861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).