3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea

C104H98F2N20O16S6 — CID 159722086

About 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea

3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea (PubChem CID 159722086) has the molecular formula C104H98F2N20O16S6 and a molecular weight of 2114.45 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea.

Molecular Properties

• Compound Name: 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea
• PubChem CID: 159722086
• Molecular Formula: C104H98F2N20O16S6
• Molecular Weight: 2114.45 g/mol
• Exact Mass: 2112.58
• IUPAC Name: 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea
• SMILES: CCS(=O)(=O)c1ccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)cc1.CS(=O)(=O)c1ccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)c1.O=C(Nc1ccc(F)cc1F)N(O)c1cccc(-c2sc(N3CCOCC3)nc2-c2ccncc2)c1
• InChI: InChI=1S/C27H27N5O5S2.C26H25N5O5S2.C26H25N5O3S.C25H21F2N5O3S/c1-2-39(35,36)23-8-6-21(7-9-23)29-26(33)32(34)22-5-3-4-20(18-22)25-24(19-10-12-28-13-11-19)30-27(38-25)31-14-16-37-17-15-31;1-38(34,35)22-7-5-20(6-8-22)28-25(32)31(33)21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)29-26(37-24)30-13-15-36-16-14-30;1-18-4-2-6-21(16-18)28-25(32)31(33)22-7-3-5-20(17-22)24-23(19-8-10-27-11-9-19)29-26(35-24)30-12-14-34-15-13-30;26-18-4-5-21(20(27)15-18)29-24(33)32(34)19-3-1-2-17(14-19)23-22(16-6-8-28-9-7-16)30-25(36-23)31-10-12-35-13-11-31/h3-13,18,34H,2,14-17H2,1H3,(H,29,33);2-12,17,33H,13-16H2,1H3,(H,28,32);2-11,16-17,33H,12-15H2,1H3,(H,28,32);1-9,14-15,34H,10-13H2,(H,29,33)
• InChIKey: NADXQURFELIOBI-UHFFFAOYSA-N
• XLogP: 20.33
• TPSA: 431.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.45
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea?

The IUPAC name of 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea (CID 159722086) is 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea.

What is the SMILES notation for 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea?

The canonical SMILES for 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea is CCS(=O)(=O)c1ccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)cc1.CS(=O)(=O)c1ccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)c1.O=C(Nc1ccc(F)cc1F)N(O)c1cccc(-c2sc(N3CCOCC3)nc2-c2ccncc2)c1.

What is the InChIKey of 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea?

The InChIKey is NADXQURFELIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O5S2.C26H25N5O5S2.C26H25N5O3S.C25H21F2N5O3S/c1-2-39(35,36)23-8-6-21(7-9-23)29-26(33)32(34)22-5-3-4-20(18-22)25-24(19-10-12-28-13-11-19)30-27(38-25)31-14-16-37-17-15-31;1-38(34,35)22-7-5-20(6-8-22)28-25(32)31(33)21-4-2-3-19(17-21)24-23(18-9-11-27-12-10-18)29-26(37-24)30-13-15-36-16-14-30;1-18-4-2-6-21(16-18)28-25(32)31(33)22-7-3-5-20(17-22)24-23(19-8-10-27-11-9-19)29-26(35-24)30-12-14-34-15-13-30;26-18-4-5-21(20(27)15-18)29-24(33)32(34)19-3-1-2-17(14-19)23-22(16-6-8-28-9-7-16)30-25(36-23)31-10-12-35-13-11-31/h3-13,18,34H,2,14-17H2,1H3,(H,29,33);2-12,17,33H,13-16H2,1H3,(H,28,32);2-11,16-17,33H,12-15H2,1H3,(H,28,32);1-9,14-15,34H,10-13H2,(H,29,33).

What are the key properties of 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea?

3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea has a molecular weight of 2114.45 g/mol, XLogP of 20.33, 23 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea is sourced from PubChem (CID 159722086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).