4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate

C80H97N19O5S4 — CID 157113084

About 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate

4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 157113084) has the molecular formula C80H97N19O5S4 and a molecular weight of 1533.05 g/mol. Its IUPAC name is 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate
• PubChem CID: 157113084
• Molecular Formula: C80H97N19O5S4
• Molecular Weight: 1533.05 g/mol
• Exact Mass: 1531.68
• IUPAC Name: 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate
• SMILES: CCN(CC)Cc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.CCOC(=O)c1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNCCO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNCCOCCO)s3)n2)c1
• InChI: InChI=1S/C21H27N5O2S.C21H27N5S.C19H23N5OS.C19H20N4O2S/c1-14-10-15(2)12-17(11-14)25-21-23-5-4-18(26-21)20-24-16(3)19(29-20)13-22-6-8-28-9-7-27;1-6-26(7-2)13-19-16(5)23-20(27-19)18-8-9-22-21(25-18)24-17-11-14(3)10-15(4)12-17;1-12-8-13(2)10-15(9-12)23-19-21-5-4-16(24-19)18-22-14(3)17(26-18)11-20-6-7-25;1-5-25-18(24)16-13(4)21-17(26-16)15-6-7-20-19(23-15)22-14-9-11(2)8-12(3)10-14/h4-5,10-12,22,27H,6-9,13H2,1-3H3,(H,23,25,26);8-12H,6-7,13H2,1-5H3,(H,22,24,25);4-5,8-10,20,25H,6-7,11H2,1-3H3,(H,21,23,24);6-10H,5H2,1-4H3,(H,20,22,23)
• InChIKey: AHBQNOORMGTBTH-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 306.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1533.05
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The IUPAC name of 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 157113084) is 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCN(CC)Cc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.CCOC(=O)c1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNCCO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNCCOCCO)s3)n2)c1.

What is the InChIKey of 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate?

The InChIKey is AHBQNOORMGTBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2S.C21H27N5S.C19H23N5OS.C19H20N4O2S/c1-14-10-15(2)12-17(11-14)25-21-23-5-4-18(26-21)20-24-16(3)19(29-20)13-22-6-8-28-9-7-27;1-6-26(7-2)13-19-16(5)23-20(27-19)18-8-9-22-21(25-18)24-17-11-14(3)10-15(4)12-17;1-12-8-13(2)10-15(9-12)23-19-21-5-4-16(24-19)18-22-14(3)17(26-18)11-20-6-7-25;1-5-25-18(24)16-13(4)21-17(26-16)15-6-7-20-19(23-15)22-14-9-11(2)8-12(3)10-14/h4-5,10-12,22,27H,6-9,13H2,1-3H3,(H,23,25,26);8-12H,6-7,13H2,1-5H3,(H,22,24,25);4-5,8-10,20,25H,6-7,11H2,1-3H3,(H,21,23,24);6-10H,5H2,1-4H3,(H,20,22,23).

What are the key properties of 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate?

4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 1533.05 g/mol, XLogP of 16.27, 29 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(diethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol;2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methylamino]ethoxy]ethanol;ethyl 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 157113084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).