1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone

C104H83Cl4F2N19O11S3 — CID 158146200

About 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone (PubChem CID 158146200) has the molecular formula C104H83Cl4F2N19O11S3 and a molecular weight of 2050.94 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone
• PubChem CID: 158146200
• Molecular Formula: C104H83Cl4F2N19O11S3
• Molecular Weight: 2050.94 g/mol
• Exact Mass: 2047.44
• IUPAC Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone
• SMILES: CC(F)(F)c1ccnc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2nccs2)c1.COc1cccc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1.Cc1nsc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.O=C(Cc1ccccn1)c1cc(Cl)cc(Oc2cncnc2)c1
• InChI: InChI=1S/C19H14ClF2N3O2.C19H16N2O3.C17H15ClN4OS.C17H12ClN3O2.C16H13ClN4OS.C16H13N3O2S/c1-19(21,22)13-2-3-25-15(6-13)8-18(26)12-4-14(20)7-16(5-12)27-17-9-23-11-24-10-17;1-23-19-9-3-6-15(21-19)12-18(22)14-5-2-7-16(11-14)24-17-8-4-10-20-13-17;1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15;18-13-5-12(17(22)8-14-3-1-2-4-21-14)6-15(7-13)23-16-9-19-11-20-10-16;1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16;1-11-18-16(22-19-11)9-15(20)12-4-2-5-13(8-12)21-14-6-3-7-17-10-14/h2-7,9-11H,8H2,1H3;2-11,13H,12H2,1H3;3-5,7-10H,6H2,1-2H3;1-7,9-11H,8H2;2-6,8-10H,7H2,1H3;2-8,10H,9H2,1H3
• InChIKey: FUNWYNJOTIAFKR-UHFFFAOYSA-N
• XLogP: 23.63
• TPSA: 374.18 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.94
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

The IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone (CID 158146200) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone.

What is the SMILES notation for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

The canonical SMILES for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone is CC(F)(F)c1ccnc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2nccs2)c1.COc1cccc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1.Cc1nsc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.O=C(Cc1ccccn1)c1cc(Cl)cc(Oc2cncnc2)c1.

What is the InChIKey of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

The InChIKey is FUNWYNJOTIAFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2.C19H16N2O3.C17H15ClN4OS.C17H12ClN3O2.C16H13ClN4OS.C16H13N3O2S/c1-19(21,22)13-2-3-25-15(6-13)8-18(26)12-4-14(20)7-16(5-12)27-17-9-23-11-24-10-17;1-23-19-9-3-6-15(21-19)12-18(22)14-5-2-7-16(11-14)24-17-8-4-10-20-13-17;1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15;18-13-5-12(17(22)8-14-3-1-2-4-21-14)6-15(7-13)23-16-9-19-11-20-10-16;1-21(14-8-18-10-19-9-14)13-5-11(4-12(17)6-13)15(22)7-16-20-2-3-23-16;1-11-18-16(22-19-11)9-15(20)12-4-2-5-13(8-12)21-14-6-3-7-17-10-14/h2-7,9-11H,8H2,1H3;2-11,13H,12H2,1H3;3-5,7-10H,6H2,1-2H3;1-7,9-11H,8H2;2-6,8-10H,7H2,1H3;2-8,10H,9H2,1H3.

What are the key properties of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone?

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone has a molecular weight of 2050.94 g/mol, XLogP of 23.63, 32 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone;2-(6-methoxy-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone is sourced from PubChem (CID 158146200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).