2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone

C89H66F5N13O10S2 — CID 157377899

About 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone

2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone (PubChem CID 157377899) has the molecular formula C89H66F5N13O10S2 and a molecular weight of 1636.71 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone
• PubChem CID: 157377899
• Molecular Formula: C89H66F5N13O10S2
• Molecular Weight: 1636.71 g/mol
• Exact Mass: 1635.44
• IUPAC Name: 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone
• SMILES: C#Cc1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.CC(F)c1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.CCc1csc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.O=C(Cc1cc(F)ccn1)c1cc(F)cc(Oc2cncnc2)c1.O=C(Cc1ccccn1)c1cccc(Oc2cccnc2)c1
• InChI: InChI=1S/C19H15F2N3O2.C18H12N2O2S.C18H14N2O2.C17H11F2N3O2.C17H14FN3O2S/c1-12(20)18-4-2-3-15(24-18)8-19(25)13-5-14(21)7-16(6-13)26-17-9-22-11-23-10-17;1-2-14-12-23-18(20-14)10-17(21)13-5-3-6-15(9-13)22-16-7-4-8-19-11-16;21-18(12-15-6-1-2-10-20-15)14-5-3-7-16(11-14)22-17-8-4-9-19-13-17;18-12-1-2-22-14(5-12)7-17(23)11-3-13(19)6-15(4-11)24-16-8-20-10-21-9-16;1-2-13-9-24-17(21-13)6-16(22)11-3-12(18)5-14(4-11)23-15-7-19-10-20-8-15/h2-7,9-12H,8H2,1H3;1,3-9,11-12H,10H2;1-11,13H,12H2;1-6,8-10H,7H2;3-5,7-10H,2,6H2,1H3
• InChIKey: BKNIMAHMQNTIIS-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 299.07 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.71
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone?

The IUPAC name of 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone (CID 157377899) is 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone.

What is the SMILES notation for 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone?

The canonical SMILES for 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone is C#Cc1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.CC(F)c1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.CCc1csc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.O=C(Cc1cc(F)ccn1)c1cc(F)cc(Oc2cncnc2)c1.O=C(Cc1ccccn1)c1cccc(Oc2cccnc2)c1.

What is the InChIKey of 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone?

The InChIKey is BKNIMAHMQNTIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2.C18H12N2O2S.C18H14N2O2.C17H11F2N3O2.C17H14FN3O2S/c1-12(20)18-4-2-3-15(24-18)8-19(25)13-5-14(21)7-16(6-13)26-17-9-22-11-23-10-17;1-2-14-12-23-18(20-14)10-17(21)13-5-3-6-15(9-13)22-16-7-4-8-19-11-16;21-18(12-15-6-1-2-10-20-15)14-5-3-7-16(11-14)22-17-8-4-9-19-13-17;18-12-1-2-22-14(5-12)7-17(23)11-3-13(19)6-15(4-11)24-16-8-20-10-21-9-16;1-2-13-9-24-17(21-13)6-16(22)11-3-12(18)5-14(4-11)23-15-7-19-10-20-8-15/h2-7,9-12H,8H2,1H3;1,3-9,11-12H,10H2;1-11,13H,12H2;1-6,8-10H,7H2;3-5,7-10H,2,6H2,1H3.

What are the key properties of 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone?

2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 1636.71 g/mol, XLogP of 18.91, 27 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 157377899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).