6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C96H88ClFN12O21S5 — CID 157453064

About 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 157453064) has the molecular formula C96H88ClFN12O21S5 and a molecular weight of 1960.61 g/mol. Its IUPAC name is 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
• PubChem CID: 157453064
• Molecular Formula: C96H88ClFN12O21S5
• Molecular Weight: 1960.61 g/mol
• Exact Mass: 1958.45
• IUPAC Name: 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
• SMILES: COc1cccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)c1.O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)C1CC1.O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(Cl)nc1.O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(F)cc1.O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccncc1
• InChI: InChI=1S/C21H20N2O5S.C20H17FN2O4S.C19H16ClN3O4S.C19H17N3O4S.C17H18N2O4S/c1-26-15-5-2-4-14(12-15)20(25)23-21-22-17(16-6-3-9-28-16)19(29-21)18(24)13-7-10-27-11-8-13;21-14-5-3-13(4-6-14)19(25)23-20-22-16(15-2-1-9-27-15)18(28-20)17(24)12-7-10-26-11-8-12;20-14-4-3-12(10-21-14)18(25)23-19-22-15(13-2-1-7-27-13)17(28-19)16(24)11-5-8-26-9-6-11;23-16(12-5-10-25-11-6-12)17-15(14-2-1-9-26-14)21-19(27-17)22-18(24)13-3-7-20-8-4-13;20-14(10-5-8-22-9-6-10)15-13(12-2-1-7-23-12)18-17(24-15)19-16(21)11-3-4-11/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,22,23,25);1-6,9,12H,7-8,10-11H2,(H,22,23,25);1-4,7,10-11H,5-6,8-9H2,(H,22,23,25);1-4,7-9,12H,5-6,10-11H2,(H,21,22,24);1-2,7,10-11H,3-6,8-9H2,(H,18,19,21)
• InChIKey: BTAFYYDFQYIBCN-UHFFFAOYSA-N
• XLogP: 20.01
• TPSA: 442.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.61
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The IUPAC name of 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 157453064) is 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The canonical SMILES for 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1cccc(C(=O)Nc2nc(-c3ccco3)c(C(=O)C3CCOCC3)s2)c1.O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)C1CC1.O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(Cl)nc1.O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccc(F)cc1.O=C(Nc1nc(-c2ccco2)c(C(=O)C2CCOCC2)s1)c1ccncc1.

What is the InChIKey of 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The InChIKey is BTAFYYDFQYIBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S.C20H17FN2O4S.C19H16ClN3O4S.C19H17N3O4S.C17H18N2O4S/c1-26-15-5-2-4-14(12-15)20(25)23-21-22-17(16-6-3-9-28-16)19(29-21)18(24)13-7-10-27-11-8-13;21-14-5-3-13(4-6-14)19(25)23-20-22-16(15-2-1-9-27-15)18(28-20)17(24)12-7-10-26-11-8-12;20-14-4-3-12(10-21-14)18(25)23-19-22-15(13-2-1-7-27-13)17(28-19)16(24)11-5-8-26-9-6-11;23-16(12-5-10-25-11-6-12)17-15(14-2-1-9-26-14)21-19(27-17)22-18(24)13-3-7-20-8-4-13;20-14(10-5-8-22-9-6-10)15-13(12-2-1-7-23-12)18-17(24-15)19-16(21)11-3-4-11/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,22,23,25);1-6,9,12H,7-8,10-11H2,(H,22,23,25);1-4,7,10-11H,5-6,8-9H2,(H,22,23,25);1-4,7-9,12H,5-6,10-11H2,(H,21,22,24);1-2,7,10-11H,3-6,8-9H2,(H,18,19,21).

What are the key properties of 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?

6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 1960.61 g/mol, XLogP of 20.01, 26 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide;4-fluoro-N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]benzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-3-methoxybenzamide;N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 157453064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).