1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate

C125H190N20O30S4 — CID 160636888

About 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate

1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate (PubChem CID 160636888) has the molecular formula C125H190N20O30S4 and a molecular weight of 2581.27 g/mol. Its IUPAC name is 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate.

Molecular Properties

• Compound Name: 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate
• PubChem CID: 160636888
• Molecular Formula: C125H190N20O30S4
• Molecular Weight: 2581.27 g/mol
• Exact Mass: 2579.28
• IUPAC Name: 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate
• SMILES: C1CCOC1.CCO.CCO.CCOC(C)=O.CO.COCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1-c1ccc(CN2CCOCC2)cc1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=S)Nc1ccc(CN2CCOCC2)cc1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)O.N#CSc1ccc(CN2CCOCC2)cc1.NN.NNC(=S)Nc1ccc(CN2CCOCC2)cc1.Nc1ccc(CN2CCOCC2)cc1.O.O=[N+]([O-])c1ccc(CN2CCOCC2)cc1
• InChI: InChI=1S/C26H36N4O6S.C26H34N4O5S.C14H20O6.C12H18N4OS.C12H14N2OS.C11H14N2O3.C11H16N2O.C4H8O2.C4H8O.2C2H6O.CH4O.H4N2.H2O/c1-18(2)21-13-22(24(36-17-33-4)14-23(21)35-16-32-3)25(31)28-29-26(37)27-20-7-5-19(6-8-20)15-30-9-11-34-12-10-30;1-18(2)21-13-22(24(35-17-32-4)14-23(21)34-16-31-3)25-27-28-26(36)30(25)20-7-5-19(6-8-20)15-29-9-11-33-12-10-29;1-9(2)10-5-11(14(15)16)13(20-8-18-4)6-12(10)19-7-17-3;13-15-12(18)14-11-3-1-10(2-4-11)9-16-5-7-17-8-6-16;13-10-16-12-3-1-11(2-4-12)9-14-5-7-15-8-6-14;14-13(15)11-3-1-10(2-4-11)9-12-5-7-16-8-6-12;12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13;1-3-6-4(2)5;1-2-4-5-3-1;2*1-2-3;2*1-2;/h5-8,13-14,18H,9-12,15-17H2,1-4H3,(H,28,31)(H2,27,29,37);5-8,13-14,18H,9-12,15-17H2,1-4H3,(H,28,36);5-6,9H,7-8H2,1-4H3,(H,15,16);1-4H,5-9,13H2,(H2,14,15,18);2*1-4H,5-9H2;1-4H,5-9,12H2;3H2,1-2H3;1-4H2;2*3H,2H2,1H3;2H,1H3;1-2H2;1H2
• InChIKey: WPNASIOKJIEMCI-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 632.44 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 45
• Rotatable Bonds: 42
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2581.27
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate?

The IUPAC name of 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate (CID 160636888) is 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate.

What is the SMILES notation for 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate?

The canonical SMILES for 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate is C1CCOC1.CCO.CCO.CCOC(C)=O.CO.COCOc1cc(OCOC)c(C(C)C)cc1-c1n[nH]c(=S)n1-c1ccc(CN2CCOCC2)cc1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)NNC(=S)Nc1ccc(CN2CCOCC2)cc1.COCOc1cc(OCOC)c(C(C)C)cc1C(=O)O.N#CSc1ccc(CN2CCOCC2)cc1.NN.NNC(=S)Nc1ccc(CN2CCOCC2)cc1.Nc1ccc(CN2CCOCC2)cc1.O.O=[N+]([O-])c1ccc(CN2CCOCC2)cc1.

What is the InChIKey of 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate?

The InChIKey is WPNASIOKJIEMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O6S.C26H34N4O5S.C14H20O6.C12H18N4OS.C12H14N2OS.C11H14N2O3.C11H16N2O.C4H8O2.C4H8O.2C2H6O.CH4O.H4N2.H2O/c1-18(2)21-13-22(24(36-17-33-4)14-23(21)35-16-32-3)25(31)28-29-26(37)27-20-7-5-19(6-8-20)15-30-9-11-34-12-10-30;1-18(2)21-13-22(24(35-17-32-4)14-23(21)34-16-31-3)25-27-28-26(36)30(25)20-7-5-19(6-8-20)15-29-9-11-33-12-10-29;1-9(2)10-5-11(14(15)16)13(20-8-18-4)6-12(10)19-7-17-3;13-15-12(18)14-11-3-1-10(2-4-11)9-16-5-7-17-8-6-16;13-10-16-12-3-1-11(2-4-12)9-14-5-7-15-8-6-14;14-13(15)11-3-1-10(2-4-11)9-12-5-7-16-8-6-12;12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13;1-3-6-4(2)5;1-2-4-5-3-1;2*1-2-3;2*1-2;/h5-8,13-14,18H,9-12,15-17H2,1-4H3,(H,28,31)(H2,27,29,37);5-8,13-14,18H,9-12,15-17H2,1-4H3,(H,28,36);5-6,9H,7-8H2,1-4H3,(H,15,16);1-4H,5-9,13H2,(H2,14,15,18);2*1-4H,5-9H2;1-4H,5-9,12H2;3H2,1-2H3;1-4H2;2*3H,2H2,1H3;2H,1H3;1-2H2;1H2.

What are the key properties of 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate?

1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate has a molecular weight of 2581.27 g/mol, XLogP of 14.50, 42 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoic acid;1-[[2,4-bis(methoxymethoxy)-5-propan-2-ylbenzoyl]amino]-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea;3-[2,4-bis(methoxymethoxy)-5-propan-2-ylphenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-1,2,4-triazole-5-thione;ethanol;ethyl acetate;hydrazine;methanol;4-(morpholin-4-ylmethyl)aniline;[4-(morpholin-4-ylmethyl)phenyl] thiocyanate;4-[(4-nitrophenyl)methyl]morpholine;oxolane;hydrate is sourced from PubChem (CID 160636888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).