N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine

C111H123N37OS9 — CID 159781072

About N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine

N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 159781072) has the molecular formula C111H123N37OS9 and a molecular weight of 2280.07 g/mol. Its IUPAC name is N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 159781072
• Molecular Formula: C111H123N37OS9
• Molecular Weight: 2280.07 g/mol
• Exact Mass: 2277.82
• IUPAC Name: N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CCN(C)CC/N=C\N=C(/NC(N)=Nc1ncc(-c2ccccc2)s1)Nc1ccccc1.CN1CCN(C2=NC(Oc3ccccc3)N=C(Nc3ncc(-c4ccccc4)s3)N2)CC1.CN1CCN(C2=NC(Sc3ccccc3)N=C(Nc3ncc(-c4ccccc4)s3)N2)CC1.CN1CCN(c2nc(Nc3ccccc3)nc(NC3NC=C(c4cccs4)S3)n2)CC1.CN1CCN(c2nc(Nc3ncc(-c4cccs4)s3)nc(Sc3ccccc3)n2)CC1
• InChI: InChI=1S/C23H28N8S.C23H25N7OS.C23H25N7S2.C21H24N8S2.C21H21N7S3/c1-3-31(2)15-14-25-17-27-22(28-19-12-8-5-9-13-19)29-21(24)30-23-26-16-20(32-23)18-10-6-4-7-11-18;1-29-12-14-30(15-13-29)21-25-20(26-22(28-21)31-18-10-6-3-7-11-18)27-23-24-16-19(32-23)17-8-4-2-5-9-17;1-29-12-14-30(15-13-29)21-25-20(27-23(28-21)31-18-10-6-3-7-11-18)26-22-24-16-19(32-22)17-8-4-2-5-9-17;1-28-9-11-29(12-10-28)20-25-18(23-15-6-3-2-4-7-15)24-19(26-20)27-21-22-14-17(31-21)16-8-5-13-30-16;1-27-9-11-28(12-10-27)19-23-18(25-21(26-19)30-15-6-3-2-4-7-15)24-20-22-14-17(31-20)16-8-5-13-29-16/h4-13,16-17H,3,14-15H2,1-2H3,(H4,24,25,26,27,28,29,30);2-11,16,22H,12-15H2,1H3,(H2,24,25,26,27,28);2-11,16,23H,12-15H2,1H3,(H2,24,25,26,27,28);2-8,13-14,21-22H,9-12H2,1H3,(H2,23,24,25,26,27);2-8,13-14H,9-12H2,1H3,(H,22,23,24,25,26)
• InChIKey: NHJFEAKWTNDKJT-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 400.13 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 43
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2280.07
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine (CID 159781072) is N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine is CCN(C)CC/N=C\N=C(/NC(N)=Nc1ncc(-c2ccccc2)s1)Nc1ccccc1.CN1CCN(C2=NC(Oc3ccccc3)N=C(Nc3ncc(-c4ccccc4)s3)N2)CC1.CN1CCN(C2=NC(Sc3ccccc3)N=C(Nc3ncc(-c4ccccc4)s3)N2)CC1.CN1CCN(c2nc(Nc3ccccc3)nc(NC3NC=C(c4cccs4)S3)n2)CC1.CN1CCN(c2nc(Nc3ncc(-c4cccs4)s3)nc(Sc3ccccc3)n2)CC1.

What is the InChIKey of N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is NHJFEAKWTNDKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8S.C23H25N7OS.C23H25N7S2.C21H24N8S2.C21H21N7S3/c1-3-31(2)15-14-25-17-27-22(28-19-12-8-5-9-13-19)29-21(24)30-23-26-16-20(32-23)18-10-6-4-7-11-18;1-29-12-14-30(15-13-29)21-25-20(26-22(28-21)31-18-10-6-3-7-11-18)27-23-24-16-19(32-23)17-8-4-2-5-9-17;1-29-12-14-30(15-13-29)21-25-20(27-23(28-21)31-18-10-6-3-7-11-18)26-22-24-16-19(32-22)17-8-4-2-5-9-17;1-28-9-11-29(12-10-28)20-25-18(23-15-6-3-2-4-7-15)24-19(26-20)27-21-22-14-17(31-21)16-8-5-13-30-16;1-27-9-11-28(12-10-27)19-23-18(25-21(26-19)30-15-6-3-2-4-7-15)24-20-22-14-17(31-20)16-8-5-13-29-16/h4-13,16-17H,3,14-15H2,1-2H3,(H4,24,25,26,27,28,29,30);2-11,16,22H,12-15H2,1H3,(H2,24,25,26,27,28);2-11,16,23H,12-15H2,1H3,(H2,24,25,26,27,28);2-8,13-14,21-22H,9-12H2,1H3,(H2,23,24,25,26,27);2-8,13-14H,9-12H2,1H3,(H,22,23,24,25,26).

What are the key properties of N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine?

N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2280.07 g/mol, XLogP of 18.96, 28 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[anilino-[[N'-(5-phenyl-1,3-thiazol-2-yl)carbamimidoyl]amino]methylidene]-N'-[2-[ethyl(methyl)amino]ethyl]methanimidamide;N-[6-(4-methylpiperazin-1-yl)-4-phenoxy-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[6-(4-methylpiperazin-1-yl)-4-phenylsulfanyl-1,4-dihydro-1,3,5-triazin-2-yl]-5-phenyl-1,3-thiazol-2-amine;N-[4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-yl]-5-thiophen-2-yl-1,3-thiazol-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(5-thiophen-2-yl-2,3-dihydro-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159781072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).