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

C112H114F2N20O16S6 — CID 159270046

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

3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea (PubChem CID 159270046) has the molecular formula C112H114F2N20O16S6 and a molecular weight of 2226.67 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea.

Molecular Properties

• Compound Name: 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea
• PubChem CID: 159270046
• Molecular Formula: C112H114F2N20O16S6
• Molecular Weight: 2226.67 g/mol
• Exact Mass: 2224.70
• IUPAC Name: 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea
• SMILES: CCS(=O)(=O)c1ccc(NC(=O)N(O)c2cccc(-c3sc(CCN4CCOCC4)nc3-c3ccncc3)c2)cc1.CS(=O)(=O)c1ccc(NC(=O)N(O)c2cccc(-c3sc(CCN4CCOCC4)nc3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)N(O)c2cccc(-c3sc(CCN4CCOCC4)nc3-c3ccncc3)c2)c1.O=C(Nc1ccc(F)cc1F)N(O)c1cccc(-c2sc(CCN3CCOCC3)nc2-c2ccncc2)c1
• InChI: InChI=1S/C29H31N5O5S2.C28H29N5O5S2.C28H29N5O3S.C27H25F2N5O3S/c1-2-41(37,38)25-8-6-23(7-9-25)31-29(35)34(36)24-5-3-4-22(20-24)28-27(21-10-13-30-14-11-21)32-26(40-28)12-15-33-16-18-39-19-17-33;1-40(36,37)24-7-5-22(6-8-24)30-28(34)33(35)23-4-2-3-21(19-23)27-26(20-9-12-29-13-10-20)31-25(39-27)11-14-32-15-17-38-18-16-32;1-20-4-2-6-23(18-20)30-28(34)33(35)24-7-3-5-22(19-24)27-26(21-8-11-29-12-9-21)31-25(37-27)10-13-32-14-16-36-17-15-32;28-20-4-5-23(22(29)17-20)31-27(35)34(36)21-3-1-2-19(16-21)26-25(18-6-9-30-10-7-18)32-24(38-26)8-11-33-12-14-37-15-13-33/h3-11,13-14,20,36H,2,12,15-19H2,1H3,(H,31,35);2-10,12-13,19,35H,11,14-18H2,1H3,(H,30,34);2-9,11-12,18-19,35H,10,13-17H2,1H3,(H,30,34);1-7,9-10,16-17,36H,8,11-15H2,(H,31,35)
• InChIKey: KXOZSHRKBJHDTA-UHFFFAOYSA-N
• XLogP: 20.48
• TPSA: 431.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2226.67
LogP ≤ 5	20.48
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-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea?

The IUPAC name of 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea (CID 159270046) is 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-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-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea?

The canonical SMILES for 3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea is CCS(=O)(=O)c1ccc(NC(=O)N(O)c2cccc(-c3sc(CCN4CCOCC4)nc3-c3ccncc3)c2)cc1.CS(=O)(=O)c1ccc(NC(=O)N(O)c2cccc(-c3sc(CCN4CCOCC4)nc3-c3ccncc3)c2)cc1.Cc1cccc(NC(=O)N(O)c2cccc(-c3sc(CCN4CCOCC4)nc3-c3ccncc3)c2)c1.O=C(Nc1ccc(F)cc1F)N(O)c1cccc(-c2sc(CCN3CCOCC3)nc2-c2ccncc2)c1.

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

The InChIKey is KXOZSHRKBJHDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O5S2.C28H29N5O5S2.C28H29N5O3S.C27H25F2N5O3S/c1-2-41(37,38)25-8-6-23(7-9-25)31-29(35)34(36)24-5-3-4-22(20-24)28-27(21-10-13-30-14-11-21)32-26(40-28)12-15-33-16-18-39-19-17-33;1-40(36,37)24-7-5-22(6-8-24)30-28(34)33(35)23-4-2-3-21(19-23)27-26(20-9-12-29-13-10-20)31-25(39-27)11-14-32-15-17-38-18-16-32;1-20-4-2-6-23(18-20)30-28(34)33(35)24-7-3-5-22(19-24)27-26(21-8-11-29-12-9-21)31-25(37-27)10-13-32-14-16-36-17-15-32;28-20-4-5-23(22(29)17-20)31-27(35)34(36)21-3-1-2-19(16-21)26-25(18-6-9-30-10-7-18)32-24(38-26)8-11-33-12-14-37-15-13-33/h3-11,13-14,20,36H,2,12,15-19H2,1H3,(H,31,35);2-10,12-13,19,35H,11,14-18H2,1H3,(H,30,34);2-9,11-12,18-19,35H,10,13-17H2,1H3,(H,30,34);1-7,9-10,16-17,36H,8,11-15H2,(H,31,35).

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

3-(2,4-difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea has a molecular weight of 2226.67 g/mol, XLogP of 20.48, 31 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-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;3-(4-ethylsulfonylphenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(3-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylsulfonylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea is sourced from PubChem (CID 159270046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).