4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine

C89H103N23OS8 — CID 159937185

About 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine

4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 159937185) has the molecular formula C89H103N23OS8 and a molecular weight of 1767.50 g/mol. Its IUPAC name is 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine
• PubChem CID: 159937185
• Molecular Formula: C89H103N23OS8
• Molecular Weight: 1767.50 g/mol
• Exact Mass: 1765.65
• IUPAC Name: 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine
• SMILES: CSc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1CNCCN1CCNCC1.CSc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1CNCCO.CSc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1CNCc1ccccc1.CSc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1CNCc1cccnc1
• InChI: InChI=1S/C24H25N5S2.C23H31N7S2.C23H24N6S2.C19H23N5OS2/c1-16-11-17(2)13-19(12-16)27-24-26-10-9-20(29-24)22-28-21(23(30-3)31-22)15-25-14-18-7-5-4-6-8-18;1-16-12-17(2)14-18(13-16)27-23-26-5-4-19(29-23)21-28-20(22(31-3)32-21)15-25-8-11-30-9-6-24-7-10-30;1-15-9-16(2)11-18(10-15)27-23-26-8-6-19(29-23)21-28-20(22(30-3)31-21)14-25-13-17-5-4-7-24-12-17;1-12-8-13(2)10-14(9-12)22-19-21-5-4-15(24-19)17-23-16(11-20-6-7-25)18(26-3)27-17/h4-13,25H,14-15H2,1-3H3,(H,26,27,29);4-5,12-14,24-25H,6-11,15H2,1-3H3,(H,26,27,29);4-12,25H,13-14H2,1-3H3,(H,26,27,29);4-5,8-10,20,25H,6-7,11H2,1-3H3,(H,21,22,24)
• InChIKey: OAKCQJMUDABLSF-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 299.31 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1767.50
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine?

The IUPAC name of 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 159937185) is 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine is CSc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1CNCCN1CCNCC1.CSc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1CNCCO.CSc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1CNCc1ccccc1.CSc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1CNCc1cccnc1.

What is the InChIKey of 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine?

The InChIKey is OAKCQJMUDABLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5S2.C23H31N7S2.C23H24N6S2.C19H23N5OS2/c1-16-11-17(2)13-19(12-16)27-24-26-10-9-20(29-24)22-28-21(23(30-3)31-22)15-25-14-18-7-5-4-6-8-18;1-16-12-17(2)14-18(13-16)27-23-26-5-4-19(29-23)21-28-20(22(31-3)32-21)15-25-8-11-30-9-6-24-7-10-30;1-15-9-16(2)11-18(10-15)27-23-26-8-6-19(29-23)21-28-20(22(30-3)31-21)14-25-13-17-5-4-7-24-12-17;1-12-8-13(2)10-14(9-12)22-19-21-5-4-15(24-19)17-23-16(11-20-6-7-25)18(26-3)27-17/h4-13,25H,14-15H2,1-3H3,(H,26,27,29);4-5,12-14,24-25H,6-11,15H2,1-3H3,(H,26,27,29);4-12,25H,13-14H2,1-3H3,(H,26,27,29);4-5,8-10,20,25H,6-7,11H2,1-3H3,(H,21,22,24).

What are the key properties of 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine?

4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 1767.50 g/mol, XLogP of 18.78, 33 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(benzylamino)methyl]-5-methylsulfanyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazol-4-yl]methylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(2-piperazin-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-methylsulfanyl-4-[(pyridin-3-ylmethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 159937185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).