2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid

C69H102Cl2N14O21S2 — CID 157270419

About 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid

2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid (PubChem CID 157270419) has the molecular formula C69H102Cl2N14O21S2 and a molecular weight of 1598.69 g/mol. Its IUPAC name is 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid
• PubChem CID: 157270419
• Molecular Formula: C69H102Cl2N14O21S2
• Molecular Weight: 1598.69 g/mol
• Exact Mass: 1596.62
• IUPAC Name: 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid
• SMILES: COCCOCCOCCO.COCCOCCOCCOCC(=O)O.COCCOOCCOOCCOCC(=O)OCCN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
• InChI: InChI=1S/C31H42ClN7O9S.C22H26ClN7O2S.C9H18O6.C7H16O4/c1-22-5-4-6-24(32)29(22)37-30(41)25-20-33-31(49-25)36-26-19-27(35-23(2)34-26)39-9-7-38(8-10-39)11-12-44-28(40)21-43-14-16-46-48-18-17-47-45-15-13-42-3;1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;1-12-2-3-13-4-5-14-6-7-15-8-9(10)11;1-9-4-5-11-7-6-10-3-2-8/h4-6,19-20H,7-18,21H2,1-3H3,(H,37,41)(H,33,34,35,36);3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);2-8H2,1H3,(H,10,11);8H,2-7H2,1H3
• InChIKey: AYLXENLCXMIJPL-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 396.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 47
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1598.69
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid?

The IUPAC name of 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid (CID 157270419) is 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid is COCCOCCOCCO.COCCOCCOCCOCC(=O)O.COCCOOCCOOCCOCC(=O)OCCN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.

What is the InChIKey of 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid?

The InChIKey is AYLXENLCXMIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42ClN7O9S.C22H26ClN7O2S.C9H18O6.C7H16O4/c1-22-5-4-6-24(32)29(22)37-30(41)25-20-33-31(49-25)36-26-19-27(35-23(2)34-26)39-9-7-38(8-10-39)11-12-44-28(40)21-43-14-16-46-48-18-17-47-45-15-13-42-3;1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;1-12-2-3-13-4-5-14-6-7-15-8-9(10)11;1-9-4-5-11-7-6-10-3-2-8/h4-6,19-20H,7-18,21H2,1-3H3,(H,37,41)(H,33,34,35,36);3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);2-8H2,1H3,(H,10,11);8H,2-7H2,1H3.

What are the key properties of 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid?

2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid has a molecular weight of 1598.69 g/mol, XLogP of 6.16, 47 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethoxy]acetate;N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;2-[2-(2-methoxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 157270419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).