N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide)

C113H92F2N18O10S7 — CID 159279497

About N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide)

N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide) (PubChem CID 159279497) has the molecular formula C113H92F2N18O10S7 and a molecular weight of 2124.56 g/mol. Its IUPAC name is N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide).

Molecular Properties

• Compound Name: N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide)
• PubChem CID: 159279497
• Molecular Formula: C113H92F2N18O10S7
• Molecular Weight: 2124.56 g/mol
• Exact Mass: 2122.53
• IUPAC Name: N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide)
• SMILES: Cc1[nH]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc1-c1cccnc1.Cc1sc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc1-c1cccnc1.Cc1sc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc1-c1cccnc1.O=C(CNc1nc(-c2cccnc2)cs1)Nc1ccc(Oc2cccc(F)c2)cc1.O=C(CNc1ncc(-c2cccnc2)s1)Nc1ccc(Oc2cccc(F)c2)cc1
• InChI: InChI=1S/C23H20N4O2S.2C23H19N3O2S2.2C22H17FN4O2S/c1-16-22(17-6-5-13-24-14-17)27-23(25-16)30-15-21(28)26-18-9-11-20(12-10-18)29-19-7-3-2-4-8-19;2*1-16-22(17-6-5-13-24-14-17)26-23(30-16)29-15-21(27)25-18-9-11-20(12-10-18)28-19-7-3-2-4-8-19;23-16-4-1-5-19(11-16)29-18-8-6-17(7-9-18)26-21(28)13-25-22-27-20(14-30-22)15-3-2-10-24-12-15;23-16-4-1-5-19(11-16)29-18-8-6-17(7-9-18)27-21(28)14-26-22-25-13-20(30-22)15-3-2-10-24-12-15/h2-14H,15H2,1H3,(H,25,27)(H,26,28);2*2-14H,15H2,1H3,(H,25,27);1-12,14H,13H2,(H,25,27)(H,26,28);1-13H,14H2,(H,25,26)(H,27,28)
• InChIKey: KYSQKEVBRBMLNP-UHFFFAOYSA-N
• XLogP: 27.75
• TPSA: 360.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2124.56
LogP ≤ 5	27.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide)?

The IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide) (CID 159279497) is N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide).

What is the SMILES notation for N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide)?

The canonical SMILES for N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide) is Cc1[nH]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc1-c1cccnc1.Cc1sc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc1-c1cccnc1.Cc1sc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc1-c1cccnc1.O=C(CNc1nc(-c2cccnc2)cs1)Nc1ccc(Oc2cccc(F)c2)cc1.O=C(CNc1ncc(-c2cccnc2)s1)Nc1ccc(Oc2cccc(F)c2)cc1.

What is the InChIKey of N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide)?

The InChIKey is KYSQKEVBRBMLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S.2C23H19N3O2S2.2C22H17FN4O2S/c1-16-22(17-6-5-13-24-14-17)27-23(25-16)30-15-21(28)26-18-9-11-20(12-10-18)29-19-7-3-2-4-8-19;2*1-16-22(17-6-5-13-24-14-17)26-23(30-16)29-15-21(27)25-18-9-11-20(12-10-18)28-19-7-3-2-4-8-19;23-16-4-1-5-19(11-16)29-18-8-6-17(7-9-18)26-21(28)13-25-22-27-20(14-30-22)15-3-2-10-24-12-15;23-16-4-1-5-19(11-16)29-18-8-6-17(7-9-18)27-21(28)14-26-22-25-13-20(30-22)15-3-2-10-24-12-15/h2-14H,15H2,1H3,(H,25,27)(H,26,28);2*2-14H,15H2,1H3,(H,25,27);1-12,14H,13H2,(H,25,27)(H,26,28);1-13H,14H2,(H,25,26)(H,27,28).

What are the key properties of N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide)?

N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide) has a molecular weight of 2124.56 g/mol, XLogP of 27.75, 35 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-fluorophenoxy)phenyl]-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;N-[4-(3-fluorophenoxy)phenyl]-2-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetamide;2-[(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide;bis(2-[(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide) is sourced from PubChem (CID 159279497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).