1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea)

C115H96F4N20O5S5 — CID 160528535

About 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea)

1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea) (PubChem CID 160528535) has the molecular formula C115H96F4N20O5S5 and a molecular weight of 2074.49 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea).

Molecular Properties

• Compound Name: 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea)
• PubChem CID: 160528535
• Molecular Formula: C115H96F4N20O5S5
• Molecular Weight: 2074.49 g/mol
• Exact Mass: 2072.64
• IUPAC Name: 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea)
• SMILES: Cc1ccc(NC(=O)Nc2cc(-c3sc(C)nc3-c3ccncc3)ccc2F)c(F)c1.Cc1ccc(NC(=O)Nc2ccc(F)c(-c3sc(C)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)Nc2cc(-c3sc(C)nc3-c3ccncc3)ccc2F)c1
• InChI: InChI=1S/C23H18F2N4OS.2C23H19FN4OS.2C23H20N4OS/c1-13-3-6-19(18(25)11-13)28-23(30)29-20-12-16(4-5-17(20)24)22-21(27-14(2)31-22)15-7-9-26-10-8-15;1-14-3-5-17(6-4-14)27-23(29)28-18-7-8-20(24)19(13-18)22-21(26-15(2)30-22)16-9-11-25-12-10-16;1-14-4-3-5-18(12-14)27-23(29)28-20-13-17(6-7-19(20)24)22-21(26-15(2)30-22)16-8-10-25-11-9-16;2*1-15-6-8-19(9-7-15)26-23(28)27-20-5-3-4-18(14-20)22-21(25-16(2)29-22)17-10-12-24-13-11-17/h3-12H,1-2H3,(H2,28,29,30);2*3-13H,1-2H3,(H2,27,28,29);2*3-14H,1-2H3,(H2,26,27,28)
• InChIKey: QVFMUBDZVONZPV-UHFFFAOYSA-N
• XLogP: 31.22
• TPSA: 334.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2074.49
LogP ≤ 5	31.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea)?

The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea) (CID 160528535) is 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea).

What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea)?

The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea) is Cc1ccc(NC(=O)Nc2cc(-c3sc(C)nc3-c3ccncc3)ccc2F)c(F)c1.Cc1ccc(NC(=O)Nc2ccc(F)c(-c3sc(C)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)Nc2cc(-c3sc(C)nc3-c3ccncc3)ccc2F)c1.

What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea)?

The InChIKey is QVFMUBDZVONZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4OS.2C23H19FN4OS.2C23H20N4OS/c1-13-3-6-19(18(25)11-13)28-23(30)29-20-12-16(4-5-17(20)24)22-21(27-14(2)31-22)15-7-9-26-10-8-15;1-14-3-5-17(6-4-14)27-23(29)28-18-7-8-20(24)19(13-18)22-21(26-15(2)30-22)16-9-11-25-12-10-16;1-14-4-3-5-18(12-14)27-23(29)28-20-13-17(6-7-19(20)24)22-21(26-15(2)30-22)16-8-10-25-11-9-16;2*1-15-6-8-19(9-7-15)26-23(28)27-20-5-3-4-18(14-20)22-21(25-16(2)29-22)17-10-12-24-13-11-17/h3-12H,1-2H3,(H2,28,29,30);2*3-13H,1-2H3,(H2,27,28,29);2*3-14H,1-2H3,(H2,26,27,28).

What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea)?

1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea) has a molecular weight of 2074.49 g/mol, XLogP of 31.22, 20 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluoro-4-methylphenyl)-3-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(3-methylphenyl)urea;1-[4-fluoro-3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-(4-methylphenyl)urea;bis(1-(4-methylphenyl)-3-[3-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea) is sourced from PubChem (CID 160528535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).