2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

C88H68Cl3F6N15O10S4 — CID 157311062

About 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 157311062) has the molecular formula C88H68Cl3F6N15O10S4 and a molecular weight of 1844.22 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
• PubChem CID: 157311062
• Molecular Formula: C88H68Cl3F6N15O10S4
• Molecular Weight: 1844.22 g/mol
• Exact Mass: 1841.31
• IUPAC Name: 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
• SMILES: CC(F)(F)c1csc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1C(C)(C)C.Cc1nc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1F.O=C(Cc1nc(C2CC2)cs1)c1cc(Cl)cc(Oc2cncnc2)c1.O=C(Cc1ncccc1F)c1cc(F)cc(Oc2cncnc2)c1
• InChI: InChI=1S/C20H20ClN3O2S.C18H14ClN3O2S.C17H12ClF2N3O2S.C17H11F2N3O2.C16H11F2N3O2S/c1-12-19(20(2,3)4)27-18(24-12)8-17(25)13-5-14(21)7-15(6-13)26-16-9-22-11-23-10-16;19-13-3-12(4-14(5-13)24-15-7-20-10-21-8-15)17(23)6-18-22-16(9-25-18)11-1-2-11;1-17(19,20)15-8-26-16(23-15)5-14(24)10-2-11(18)4-12(3-10)25-13-6-21-9-22-7-13;18-12-4-11(17(23)7-16-15(19)2-1-3-22-16)5-13(6-12)24-14-8-20-10-21-9-14;1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13/h5-7,9-11H,8H2,1-4H3;3-5,7-11H,1-2,6H2;2-4,6-9H,5H2,1H3;1-6,8-10H,7H2;2-4,6-8H,5H2,1H3
• InChIKey: BDAVEOFQWBPMTG-UHFFFAOYSA-N
• XLogP: 22.11
• TPSA: 324.85 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.22
LogP ≤ 5	22.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?

The IUPAC name of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (CID 157311062) is 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

What is the SMILES notation for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?

The canonical SMILES for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is CC(F)(F)c1csc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1C(C)(C)C.Cc1nc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)sc1F.O=C(Cc1nc(C2CC2)cs1)c1cc(Cl)cc(Oc2cncnc2)c1.O=C(Cc1ncccc1F)c1cc(F)cc(Oc2cncnc2)c1.

What is the InChIKey of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?

The InChIKey is BDAVEOFQWBPMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S.C18H14ClN3O2S.C17H12ClF2N3O2S.C17H11F2N3O2.C16H11F2N3O2S/c1-12-19(20(2,3)4)27-18(24-12)8-17(25)13-5-14(21)7-15(6-13)26-16-9-22-11-23-10-16;19-13-3-12(4-14(5-13)24-15-7-20-10-21-8-15)17(23)6-18-22-16(9-25-18)11-1-2-11;1-17(19,20)15-8-26-16(23-15)5-14(24)10-2-11(18)4-12(3-10)25-13-6-21-9-22-7-13;18-12-4-11(17(23)7-16-15(19)2-1-3-22-16)5-13(6-12)24-14-8-20-10-21-9-14;1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13/h5-7,9-11H,8H2,1-4H3;3-5,7-11H,1-2,6H2;2-4,6-9H,5H2,1H3;1-6,8-10H,7H2;2-4,6-8H,5H2,1H3.

What are the key properties of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?

2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 1844.22 g/mol, XLogP of 22.11, 27 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 157311062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).