2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone

C88H72F2N12O10S2 — CID 123379050

About 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 123379050) has the molecular formula C88H72F2N12O10S2 and a molecular weight of 1559.75 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone
• PubChem CID: 123379050
• Molecular Formula: C88H72F2N12O10S2
• Molecular Weight: 1559.75 g/mol
• Exact Mass: 1558.49
• IUPAC Name: 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone
• SMILES: CC(F)(F)c1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.Cc1cc(CC(=O)c2cccc(Oc3cccnc3)c2)ccn1.Cc1cccc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.Cn1cnc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.O=C(Cc1nccs1)c1cccc(Oc2cccnc2)c1
• InChI: InChI=1S/2C19H16N2O2.C18H14F2N2O2S.C16H14N4O2.C16H12N2O2S/c1-14-5-2-7-16(21-14)12-19(22)15-6-3-8-17(11-15)23-18-9-4-10-20-13-18;1-14-10-15(7-9-21-14)11-19(22)16-4-2-5-17(12-16)23-18-6-3-8-20-13-18;1-18(19,20)16-11-25-17(22-16)9-15(23)12-4-2-5-13(8-12)24-14-6-3-7-21-10-14;1-20-11-18-16(19-20)9-15(21)12-4-2-5-13(8-12)22-14-6-3-7-17-10-14;19-15(10-16-18-7-8-21-16)12-3-1-4-13(9-12)20-14-5-2-6-17-11-14/h2-11,13H,12H2,1H3;2-10,12-13H,11H2,1H3;2-8,10-11H,9H2,1H3;2-8,10-11H,9H2,1H3;1-9,11H,10H2
• InChIKey: BQTXUFQCYOADTQ-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 278.22 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.75
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone?

The IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone (CID 123379050) is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone.

What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone?

The canonical SMILES for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone is CC(F)(F)c1csc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.Cc1cc(CC(=O)c2cccc(Oc3cccnc3)c2)ccn1.Cc1cccc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.Cn1cnc(CC(=O)c2cccc(Oc3cccnc3)c2)n1.O=C(Cc1nccs1)c1cccc(Oc2cccnc2)c1.

What is the InChIKey of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone?

The InChIKey is BQTXUFQCYOADTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N2O2.C18H14F2N2O2S.C16H14N4O2.C16H12N2O2S/c1-14-5-2-7-16(21-14)12-19(22)15-6-3-8-17(11-15)23-18-9-4-10-20-13-18;1-14-10-15(7-9-21-14)11-19(22)16-4-2-5-17(12-16)23-18-6-3-8-20-13-18;1-18(19,20)16-11-25-17(22-16)9-15(23)12-4-2-5-13(8-12)24-14-6-3-7-21-10-14;1-20-11-18-16(19-20)9-15(21)12-4-2-5-13(8-12)22-14-6-3-7-17-10-14;19-15(10-16-18-7-8-21-16)12-3-1-4-13(9-12)20-14-5-2-6-17-11-14/h2-11,13H,12H2,1H3;2-10,12-13H,11H2,1H3;2-8,10-11H,9H2,1H3;2-8,10-11H,9H2,1H3;1-9,11H,10H2.

What are the key properties of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone?

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 1559.75 g/mol, XLogP of 19.06, 26 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 123379050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).