2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide

C75H97Cl4N23O5S3 — CID 158856986

About 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide

2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 158856986) has the molecular formula C75H97Cl4N23O5S3 and a molecular weight of 1638.77 g/mol. Its IUPAC name is 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 158856986
• Molecular Formula: C75H97Cl4N23O5S3
• Molecular Weight: 1638.77 g/mol
• Exact Mass: 1635.60
• IUPAC Name: 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
• SMILES: CC(C)(C)OC(=O)NCCCN1CCNCC1.CCCCN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCN)CC2)n1
• InChI: InChI=1S/C24H30ClN7OS.C23H29ClN8OS.C16H13Cl2N5OS.C12H25N3O2/c1-4-5-9-31-10-12-32(13-11-31)21-14-20(27-17(3)28-21)29-24-26-15-19(34-24)23(33)30-22-16(2)7-6-8-18(22)25;1-15-5-3-6-17(24)21(15)30-22(33)18-14-26-23(34-18)29-19-13-20(28-16(2)27-19)32-11-9-31(10-12-32)8-4-7-25;1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13;1-12(2,3)17-11(16)14-5-4-8-15-9-6-13-7-10-15/h6-8,14-15H,4-5,9-13H2,1-3H3,(H,30,33)(H,26,27,28,29);3,5-6,13-14H,4,7-12,25H2,1-2H3,(H,30,33)(H,26,27,28,29);3-7H,1-2H3,(H,23,24)(H,19,20,21,22);13H,4-10H2,1-3H3,(H,14,16)
• InChIKey: JAEINJJGPGJPTO-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 331.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1638.77
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide (CID 158856986) is 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide is CC(C)(C)OC(=O)NCCCN1CCNCC1.CCCCN1CCN(c2cc(Nc3ncc(C(=O)Nc4c(C)cccc4Cl)s3)nc(C)n2)CC1.Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCN)CC2)n1.

What is the InChIKey of 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide?

The InChIKey is JAEINJJGPGJPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN7OS.C23H29ClN8OS.C16H13Cl2N5OS.C12H25N3O2/c1-4-5-9-31-10-12-32(13-11-31)21-14-20(27-17(3)28-21)29-24-26-15-19(34-24)23(33)30-22-16(2)7-6-8-18(22)25;1-15-5-3-6-17(24)21(15)30-22(33)18-14-26-23(34-18)29-19-13-20(28-16(2)27-19)32-11-9-31(10-12-32)8-4-7-25;1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13;1-12(2,3)17-11(16)14-5-4-8-15-9-6-13-7-10-15/h6-8,14-15H,4-5,9-13H2,1-3H3,(H,30,33)(H,26,27,28,29);3,5-6,13-14H,4,7-12,25H2,1-2H3,(H,30,33)(H,26,27,28,29);3-7H,1-2H3,(H,23,24)(H,19,20,21,22);13H,4-10H2,1-3H3,(H,14,16).

What are the key properties of 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide?

2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 1638.77 g/mol, XLogP of 14.45, 24 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[4-(3-aminopropyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;2-[[6-(4-butylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide;tert-butyl N-(3-piperazin-1-ylpropyl)carbamate;N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158856986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).