3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea

C111H110ClF3N20O13S4 — CID 160548924

About 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea

3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 160548924) has the molecular formula C111H110ClF3N20O13S4 and a molecular weight of 2152.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
• PubChem CID: 160548924
• Molecular Formula: C111H110ClF3N20O13S4
• Molecular Weight: 2152.94 g/mol
• Exact Mass: 2150.71
• IUPAC Name: 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
• SMILES: COc1ccc(NC(=O)N(O)c2cccc(-c3sc(CCC4CCOCC4)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)N(O)c2cccc(-c3sc(CCN4CCOCC4)nc3-c3ccncc3)c2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N(O)c1cccc(-c2sc(CCN3CCOCC3)nc2-c2ccncc2)c1.O=C(Nc1ccc(Cl)cc1)N(O)c1cccc(-c2sc(CCN3CCOCC3)nc2-c2ccncn2)c1
• InChI: InChI=1S/C29H30N4O4S.C28H26F3N5O3S.C28H29N5O3S.C26H25ClN6O3S/c1-36-25-8-6-23(7-9-25)31-29(34)33(35)24-4-2-3-22(19-24)28-27(21-11-15-30-16-12-21)32-26(38-28)10-5-20-13-17-37-18-14-20;29-28(30,31)21-4-6-22(7-5-21)33-27(37)36(38)23-3-1-2-20(18-23)26-25(19-8-11-32-12-9-19)34-24(40-26)10-13-35-14-16-39-17-15-35;1-20-5-7-23(8-6-20)30-28(34)33(35)24-4-2-3-22(19-24)27-26(21-9-12-29-13-10-21)31-25(37-27)11-14-32-15-17-36-18-16-32;27-19-4-6-20(7-5-19)30-26(34)33(35)21-3-1-2-18(16-21)25-24(22-8-10-28-17-29-22)31-23(37-25)9-11-32-12-14-36-15-13-32/h2-4,6-9,11-12,15-16,19-20,35H,5,10,13-14,17-18H2,1H3,(H,31,34);1-9,11-12,18,38H,10,13-17H2,(H,33,37);2-10,12-13,19,35H,11,14-18H2,1H3,(H,30,34);1-8,10,16-17,35H,9,11-15H2,(H,30,34)
• InChIKey: QXULOLXQMRMUTN-UHFFFAOYSA-N
• XLogP: 23.57
• TPSA: 382.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.94
LogP ≤ 5	23.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

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-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?

The IUPAC name of 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 160548924) is 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is COc1ccc(NC(=O)N(O)c2cccc(-c3sc(CCC4CCOCC4)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)N(O)c2cccc(-c3sc(CCN4CCOCC4)nc3-c3ccncc3)c2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N(O)c1cccc(-c2sc(CCN3CCOCC3)nc2-c2ccncc2)c1.O=C(Nc1ccc(Cl)cc1)N(O)c1cccc(-c2sc(CCN3CCOCC3)nc2-c2ccncn2)c1.

What is the InChIKey of 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?

The InChIKey is QXULOLXQMRMUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4S.C28H26F3N5O3S.C28H29N5O3S.C26H25ClN6O3S/c1-36-25-8-6-23(7-9-25)31-29(34)33(35)24-4-2-3-22(19-24)28-27(21-11-15-30-16-12-21)32-26(38-28)10-5-20-13-17-37-18-14-20;29-28(30,31)21-4-6-22(7-5-21)33-27(37)36(38)23-3-1-2-20(18-23)26-25(19-8-11-32-12-9-19)34-24(40-26)10-13-35-14-16-39-17-15-35;1-20-5-7-23(8-6-20)30-28(34)33(35)24-4-2-3-22(19-24)27-26(21-9-12-29-13-10-21)31-25(37-27)11-14-32-15-17-36-18-16-32;27-19-4-6-20(7-5-19)30-26(34)33(35)21-3-1-2-18(16-21)25-24(22-8-10-28-17-29-22)31-23(37-25)9-11-32-12-14-36-15-13-32/h2-4,6-9,11-12,15-16,19-20,35H,5,10,13-14,17-18H2,1H3,(H,31,34);1-9,11-12,18,38H,10,13-17H2,(H,33,37);2-10,12-13,19,35H,11,14-18H2,1H3,(H,30,34);1-8,10,16-17,35H,9,11-15H2,(H,30,34).

What are the key properties of 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?

3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 2152.94 g/mol, XLogP of 23.57, 29 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyrimidin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-[2-[2-(oxan-4-yl)ethyl]-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea;1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 160548924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).