N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde

C96H98F16N16O12S4 — CID 157447598

About N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde

N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde (PubChem CID 157447598) has the molecular formula C96H98F16N16O12S4 and a molecular weight of 2100.18 g/mol. Its IUPAC name is N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde.

Molecular Properties

• Compound Name: N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde
• PubChem CID: 157447598
• Molecular Formula: C96H98F16N16O12S4
• Molecular Weight: 2100.18 g/mol
• Exact Mass: 2098.62
• IUPAC Name: N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde
• SMILES: C.CN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(C(C)(C)C)cnc4s3)c2F)CC1.CN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(C(F)(F)C(F)(F)F)cnc4s3)c2F)CC1.CN1CCC(C=O)CC1.Cc1cnc2sc(COc3ccc(F)c(C(=O)NC(=O)C4CCN(C)CC4)c3F)nc2c1.NC(=O)c1c(F)ccc(OCc2nc3cc(C4(C(F)(F)F)CC4)cnc3s2)c1F
• InChI: InChI=1S/C25H28F2N4O3S.C23H19F7N4O3S.C22H22F2N4O3S.C18H12F5N3O2S.C7H13NO.CH4/c1-25(2,3)15-11-17-24(28-12-15)35-19(29-17)13-34-18-6-5-16(26)20(21(18)27)23(33)30-22(32)14-7-9-31(4)10-8-14;1-34-6-4-11(5-7-34)19(35)33-20(36)17-13(24)2-3-15(18(17)25)37-10-16-32-14-8-12(9-31-21(14)38-16)22(26,27)23(28,29)30;1-12-9-15-22(25-10-12)32-17(26-15)11-31-16-4-3-14(23)18(19(16)24)21(30)27-20(29)13-5-7-28(2)8-6-13;19-9-1-2-11(14(20)13(9)15(24)27)28-7-12-26-10-5-8(6-25-16(10)29-12)17(3-4-17)18(21,22)23;1-8-4-2-7(6-9)3-5-8;/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,30,32,33);2-3,8-9,11H,4-7,10H2,1H3,(H,33,35,36);3-4,9-10,13H,5-8,11H2,1-2H3,(H,27,29,30);1-2,5-6H,3-4,7H2,(H2,24,27);6-7H,2-5H2,1H3;1H4
• InChIKey: BSKIOMPCNMZBEW-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 351.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2100.18
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde?

The IUPAC name of N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde (CID 157447598) is N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde.

What is the SMILES notation for N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde?

The canonical SMILES for N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde is C.CN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(C(C)(C)C)cnc4s3)c2F)CC1.CN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(C(F)(F)C(F)(F)F)cnc4s3)c2F)CC1.CN1CCC(C=O)CC1.Cc1cnc2sc(COc3ccc(F)c(C(=O)NC(=O)C4CCN(C)CC4)c3F)nc2c1.NC(=O)c1c(F)ccc(OCc2nc3cc(C4(C(F)(F)F)CC4)cnc3s2)c1F.

What is the InChIKey of N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde?

The InChIKey is BSKIOMPCNMZBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O3S.C23H19F7N4O3S.C22H22F2N4O3S.C18H12F5N3O2S.C7H13NO.CH4/c1-25(2,3)15-11-17-24(28-12-15)35-19(29-17)13-34-18-6-5-16(26)20(21(18)27)23(33)30-22(32)14-7-9-31(4)10-8-14;1-34-6-4-11(5-7-34)19(35)33-20(36)17-13(24)2-3-15(18(17)25)37-10-16-32-14-8-12(9-31-21(14)38-16)22(26,27)23(28,29)30;1-12-9-15-22(25-10-12)32-17(26-15)11-31-16-4-3-14(23)18(19(16)24)21(30)27-20(29)13-5-7-28(2)8-6-13;19-9-1-2-11(14(20)13(9)15(24)27)28-7-12-26-10-5-8(6-25-16(10)29-12)17(3-4-17)18(21,22)23;1-8-4-2-7(6-9)3-5-8;/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,30,32,33);2-3,8-9,11H,4-7,10H2,1H3,(H,33,35,36);3-4,9-10,13H,5-8,11H2,1-2H3,(H,27,29,30);1-2,5-6H,3-4,7H2,(H2,24,27);6-7H,2-5H2,1H3;1H4.

What are the key properties of N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde?

N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde has a molecular weight of 2100.18 g/mol, XLogP of 18.10, 22 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(6-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[(6-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;N-[2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzoyl]-1-methylpiperidine-4-carboxamide;2,6-difluoro-3-[[6-[1-(trifluoromethyl)cyclopropyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide;methane;1-methylpiperidine-4-carbaldehyde is sourced from PubChem (CID 157447598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).