1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea

C159H173N37O29S8 — CID 173076049

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea (PubChem CID 173076049) has the molecular formula C159H173N37O29S8 and a molecular weight of 3322.90 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

• Compound Name: 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea
• PubChem CID: 173076049
• Molecular Formula: C159H173N37O29S8
• Molecular Weight: 3322.90 g/mol
• Exact Mass: 3320.10
• IUPAC Name: 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea
• SMILES: CCc1nsc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)c2ccccc2OC)n1.COc1ccccc1C(=O)c1cc(N2CCOCC2)ccc1NC(=O)Nc1nc(-c2ccccc2)ns1.COc1ccccc1C(=O)c1cc(N2CCOCC2)ccc1NC(=O)Nc1nc(C(C)C)ns1.COc1ccccc1C(=O)c1cc(N2CCOCC2)ccc1NC(=O)Nc1nc(C)ns1.COc1ccccc1C(=O)c1cc(N2CCOCC2)ccc1NC(=O)Nc1nc(CNS(C)(=O)=O)ns1.COc1nsc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)c2ccccc2OC)n1.O=C(Nc1ncns1)Nc1ccc(N2CCOCC2)cc1N1CCCCC1
• InChI: InChI=1S/C27H25N5O4S.C24H27N5O4S.C23H26N6O6S2.C23H25N5O4S.C22H23N5O5S.C22H23N5O4S.C18H24N6O2S/c1-35-23-10-6-5-9-20(23)24(33)21-17-19(32-13-15-36-16-14-32)11-12-22(21)28-26(34)30-27-29-25(31-37-27)18-7-3-2-4-8-18;1-15(2)22-26-24(34-28-22)27-23(31)25-19-9-8-16(29-10-12-33-13-11-29)14-18(19)21(30)17-6-4-5-7-20(17)32-3;1-34-19-6-4-3-5-16(19)21(30)17-13-15(29-9-11-35-12-10-29)7-8-18(17)25-22(31)27-23-26-20(28-36-23)14-24-37(2,32)33;1-3-20-25-23(33-27-20)26-22(30)24-18-9-8-15(28-10-12-32-13-11-28)14-17(18)21(29)16-6-4-5-7-19(16)31-2;1-30-18-6-4-3-5-15(18)19(28)16-13-14(27-9-11-32-12-10-27)7-8-17(16)23-20(29)24-22-25-21(31-2)26-33-22;1-14-23-22(32-26-14)25-21(29)24-18-8-7-15(27-9-11-31-12-10-27)13-17(18)20(28)16-5-3-4-6-19(16)30-2;25-17(22-18-19-13-20-27-18)21-15-5-4-14(23-8-10-26-11-9-23)12-16(15)24-6-2-1-3-7-24/h2-12,17H,13-16H2,1H3,(H2,28,29,30,31,34);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28,31);3-8,13,24H,9-12,14H2,1-2H3,(H2,25,26,27,28,31);4-9,14H,3,10-13H2,1-2H3,(H2,24,25,26,27,30);3-8,13H,9-12H2,1-2H3,(H2,23,24,25,26,29);3-8,13H,9-12H2,1-2H3,(H2,23,24,25,26,29);4-5,12-13H,1-3,6-11H2,(H2,19,20,21,22,25)
• InChIKey: LBIWHPPKKTVBCV-UHFFFAOYSA-N
• XLogP: 25.28
• TPSA: 772.10 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 58
• Rotatable Bonds: 47
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3322.90
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	58

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea?

The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea (CID 173076049) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea.

What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea?

The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea is CCc1nsc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)c2ccccc2OC)n1.COc1ccccc1C(=O)c1cc(N2CCOCC2)ccc1NC(=O)Nc1nc(-c2ccccc2)ns1.COc1ccccc1C(=O)c1cc(N2CCOCC2)ccc1NC(=O)Nc1nc(C(C)C)ns1.COc1ccccc1C(=O)c1cc(N2CCOCC2)ccc1NC(=O)Nc1nc(C)ns1.COc1ccccc1C(=O)c1cc(N2CCOCC2)ccc1NC(=O)Nc1nc(CNS(C)(=O)=O)ns1.COc1nsc(NC(=O)Nc2ccc(N3CCOCC3)cc2C(=O)c2ccccc2OC)n1.O=C(Nc1ncns1)Nc1ccc(N2CCOCC2)cc1N1CCCCC1.

What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea?

The InChIKey is LBIWHPPKKTVBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4S.C24H27N5O4S.C23H26N6O6S2.C23H25N5O4S.C22H23N5O5S.C22H23N5O4S.C18H24N6O2S/c1-35-23-10-6-5-9-20(23)24(33)21-17-19(32-13-15-36-16-14-32)11-12-22(21)28-26(34)30-27-29-25(31-37-27)18-7-3-2-4-8-18;1-15(2)22-26-24(34-28-22)27-23(31)25-19-9-8-16(29-10-12-33-13-11-29)14-18(19)21(30)17-6-4-5-7-20(17)32-3;1-34-19-6-4-3-5-16(19)21(30)17-13-15(29-9-11-35-12-10-29)7-8-18(17)25-22(31)27-23-26-20(28-36-23)14-24-37(2,32)33;1-3-20-25-23(33-27-20)26-22(30)24-18-9-8-15(28-10-12-32-13-11-28)14-17(18)21(29)16-6-4-5-7-19(16)31-2;1-30-18-6-4-3-5-15(18)19(28)16-13-14(27-9-11-32-12-10-27)7-8-17(16)23-20(29)24-22-25-21(31-2)26-33-22;1-14-23-22(32-26-14)25-21(29)24-18-8-7-15(27-9-11-31-12-10-27)13-17(18)20(28)16-5-3-4-6-19(16)30-2;25-17(22-18-19-13-20-27-18)21-15-5-4-14(23-8-10-26-11-9-23)12-16(15)24-6-2-1-3-7-24/h2-12,17H,13-16H2,1H3,(H2,28,29,30,31,34);4-9,14-15H,10-13H2,1-3H3,(H2,25,26,27,28,31);3-8,13,24H,9-12,14H2,1-2H3,(H2,25,26,27,28,31);4-9,14H,3,10-13H2,1-2H3,(H2,24,25,26,27,30);3-8,13H,9-12H2,1-2H3,(H2,23,24,25,26,29);3-8,13H,9-12H2,1-2H3,(H2,23,24,25,26,29);4-5,12-13H,1-3,6-11H2,(H2,19,20,21,22,25).

What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea?

1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea has a molecular weight of 3322.90 g/mol, XLogP of 25.28, 47 rotatable bonds, 15 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[3-(methanesulfonamidomethyl)-1,2,4-thiadiazol-5-yl]-3-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea;1-[2-(2-methoxybenzoyl)-4-morpholin-4-ylphenyl]-3-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)urea;1-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)-3-(1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 173076049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).