N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide

C22H19F5N4O3S — CID 75203933

About N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide

N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide (PubChem CID 75203933) has the molecular formula C22H19F5N4O3S and a molecular weight of 514.48 g/mol. Its IUPAC name is N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide
• PubChem CID: 75203933
• Molecular Formula: C22H19F5N4O3S
• Molecular Weight: 514.48 g/mol
• Exact Mass: 514.11
• IUPAC Name: N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide
• SMILES: CN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(C(F)(F)F)cnc4s3)c2F)CC1
• InChI: InChI=1S/C22H19F5N4O3S/c1-31-6-4-11(5-7-31)19(32)30-20(33)17-13(23)2-3-15(18(17)24)34-10-16-29-14-8-12(22(25,26)27)9-28-21(14)35-16/h2-3,8-9,11H,4-7,10H2,1H3,(H,30,32,33)
• InChIKey: LOTYKTRNFDRNAY-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.48
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide?

The IUPAC name of N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide (CID 75203933) is N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(C(F)(F)F)cnc4s3)c2F)CC1.

What is the InChIKey of N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide?

The InChIKey is LOTYKTRNFDRNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N4O3S/c1-31-6-4-11(5-7-31)19(32)30-20(33)17-13(23)2-3-15(18(17)24)34-10-16-29-14-8-12(22(25,26)27)9-28-21(14)35-16/h2-3,8-9,11H,4-7,10H2,1H3,(H,30,32,33).

What are the key properties of N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide?

N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 514.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 75203933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).