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

C92H77F6N19O4S4 — CID 159969811

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

1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 159969811) has the molecular formula C92H77F6N19O4S4 and a molecular weight of 1755.01 g/mol. Its IUPAC name is 1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• PubChem CID: 159969811
• Molecular Formula: C92H77F6N19O4S4
• Molecular Weight: 1755.01 g/mol
• Exact Mass: 1753.52
• IUPAC Name: 1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
• SMILES: Cc1ccc(NC(=O)Nc2cc(-c3sc(C)nc3-c3ccnc(N)c3)c(F)cc2F)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccnc(N)c3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccnc(N)c3)c2)cc1.Cc1nc(-c2ccncc2)c(-c2ccc(F)c(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)s1
• InChI: InChI=1S/C23H16F4N4OS.C23H19F2N5OS.2C23H21N5OS/c1-13-29-20(14-7-9-28-10-8-14)21(33-13)15-5-6-18(24)19(11-15)31-22(32)30-17-4-2-3-16(12-17)23(25,26)27;1-12-3-5-15(6-4-12)29-23(31)30-19-10-16(17(24)11-18(19)25)22-21(28-13(2)32-22)14-7-8-27-20(26)9-14;2*1-14-6-8-18(9-7-14)27-23(29)28-19-5-3-4-17(12-19)22-21(26-15(2)30-22)16-10-11-25-20(24)13-16/h2-12H,1H3,(H2,30,31,32);3-11H,1-2H3,(H2,26,27)(H2,29,30,31);2*3-13H,1-2H3,(H2,24,25)(H2,27,28,29)
• InChIKey: OEKBFZQCZYPIMD-UHFFFAOYSA-N
• XLogP: 24.41
• TPSA: 345.70 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1755.01
LogP ≤ 5	24.41
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 159969811) is 1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

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

The canonical SMILES for 1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1ccc(NC(=O)Nc2cc(-c3sc(C)nc3-c3ccnc(N)c3)c(F)cc2F)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccnc(N)c3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3sc(C)nc3-c3ccnc(N)c3)c2)cc1.Cc1nc(-c2ccncc2)c(-c2ccc(F)c(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)s1.

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

The InChIKey is OEKBFZQCZYPIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4OS.C23H19F2N5OS.2C23H21N5OS/c1-13-29-20(14-7-9-28-10-8-14)21(33-13)15-5-6-18(24)19(11-15)31-22(32)30-17-4-2-3-16(12-17)23(25,26)27;1-12-3-5-15(6-4-12)29-23(31)30-19-10-16(17(24)11-18(19)25)22-21(28-13(2)32-22)14-7-8-27-20(26)9-14;2*1-14-6-8-18(9-7-14)27-23(29)28-19-5-3-4-17(12-19)22-21(26-15(2)30-22)16-10-11-25-20(24)13-16/h2-12H,1H3,(H2,30,31,32);3-11H,1-2H3,(H2,26,27)(H2,29,30,31);2*3-13H,1-2H3,(H2,24,25)(H2,27,28,29).

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

1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1755.01 g/mol, XLogP of 24.41, 16 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]-2,4-difluorophenyl]-3-(4-methylphenyl)urea;bis(1-[3-[4-(2-amino-4-pyridinyl)-2-methyl-1,3-thiazol-5-yl]phenyl]-3-(4-methylphenyl)urea);1-[2-fluoro-5-(2-methyl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159969811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).