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

C102H93ClF3N21O13S4 — CID 158422052

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

3-(4-chlorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 158422052) has the molecular formula C102H93ClF3N21O13S4 and a molecular weight of 2041.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-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-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
• PubChem CID: 158422052
• Molecular Formula: C102H93ClF3N21O13S4
• Molecular Weight: 2041.71 g/mol
• Exact Mass: 2039.58
• IUPAC Name: 3-(4-chlorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
• SMILES: COc1ccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N(O)c1cccc(-c2sc(N3CCOCC3)nc2-c2ccncc2)c1.O=C(Nc1ccc(Cl)cc1)N(O)c1cccc(-c2sc(N3CCOCC3)nc2-c2ccncn2)c1
• InChI: InChI=1S/C26H22F3N5O3S.C26H25N5O4S.C26H25N5O3S.C24H21ClN6O3S/c27-26(28,29)19-4-6-20(7-5-19)31-24(35)34(36)21-3-1-2-18(16-21)23-22(17-8-10-30-11-9-17)32-25(38-23)33-12-14-37-15-13-33;1-34-22-7-5-20(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(36-24)30-13-15-35-16-14-30;1-18-5-7-21(8-6-18)28-25(32)31(33)22-4-2-3-20(17-22)24-23(19-9-11-27-12-10-19)29-26(35-24)30-13-15-34-16-14-30;25-17-4-6-18(7-5-17)28-23(32)31(33)19-3-1-2-16(14-19)22-21(20-8-9-26-15-27-20)29-24(35-22)30-10-12-34-13-11-30/h1-11,16,36H,12-15H2,(H,31,35);2-12,17,33H,13-16H2,1H3,(H,28,32);2-12,17,33H,13-16H2,1H3,(H,28,32);1-9,14-15,33H,10-13H2,(H,28,32)
• InChIKey: HAPHXBOWSISEED-UHFFFAOYSA-N
• XLogP: 21.93
• TPSA: 385.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.71
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

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-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-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-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 158422052) is 3-(4-chlorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-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-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-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-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is COc1ccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)N(O)c2cccc(-c3sc(N4CCOCC4)nc3-c3ccncc3)c2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N(O)c1cccc(-c2sc(N3CCOCC3)nc2-c2ccncc2)c1.O=C(Nc1ccc(Cl)cc1)N(O)c1cccc(-c2sc(N3CCOCC3)nc2-c2ccncn2)c1.

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

The InChIKey is HAPHXBOWSISEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3S.C26H25N5O4S.C26H25N5O3S.C24H21ClN6O3S/c27-26(28,29)19-4-6-20(7-5-19)31-24(35)34(36)21-3-1-2-18(16-21)23-22(17-8-10-30-11-9-17)32-25(38-23)33-12-14-37-15-13-33;1-34-22-7-5-20(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(36-24)30-13-15-35-16-14-30;1-18-5-7-21(8-6-18)28-25(32)31(33)22-4-2-3-20(17-22)24-23(19-9-11-27-12-10-19)29-26(35-24)30-13-15-34-16-14-30;25-17-4-6-18(7-5-17)28-23(32)31(33)19-3-1-2-16(14-19)22-21(20-8-9-26-15-27-20)29-24(35-22)30-10-12-34-13-11-30/h1-11,16,36H,12-15H2,(H,31,35);2-12,17,33H,13-16H2,1H3,(H,28,32);2-12,17,33H,13-16H2,1H3,(H,28,32);1-9,14-15,33H,10-13H2,(H,28,32).

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

3-(4-chlorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 2041.71 g/mol, XLogP of 21.93, 21 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyrimidin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methoxyphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-3-(4-methylphenyl)-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]urea;1-hydroxy-1-[3-(2-morpholin-4-yl-4-pyridin-4-yl-1,3-thiazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158422052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).