bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide

C55H60Br2N12O6S2Zn — CID 160846360

About bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide

bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide (PubChem CID 160846360) has the molecular formula C55H60Br2N12O6S2Zn and a molecular weight of 1274.49 g/mol. Its IUPAC name is bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide.

Molecular Properties

• Compound Name: bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide
• PubChem CID: 160846360
• Molecular Formula: C55H60Br2N12O6S2Zn
• Molecular Weight: 1274.49 g/mol
• Exact Mass: 1270.19
• IUPAC Name: bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide
• SMILES: CNC(=O)c1ccc(Nc2ncc3cc(-c4nccs4)c(OCC4CCNCC4)cc3n2)cc1.CNC(=O)c1ccc(Nc2ncc3cc(Br)c(OCC4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)cc1.[Zn+]Br.[c-]1nccs1
• InChI: InChI=1S/C27H32BrN5O4.C25H26N6O2S.C3H2NS.BrH.Zn/c1-27(2,3)37-26(35)33-11-9-17(10-12-33)16-36-23-14-22-19(13-21(23)28)15-30-25(32-22)31-20-7-5-18(6-8-20)24(34)29-4;1-26-23(32)17-2-4-19(5-3-17)30-25-29-14-18-12-20(24-28-10-11-34-24)22(13-21(18)31-25)33-15-16-6-8-27-9-7-16;1-2-5-3-4-1;;/h5-8,13-15,17H,9-12,16H2,1-4H3,(H,29,34)(H,30,31,32);2-5,10-14,16,27H,6-9,15H2,1H3,(H,26,32)(H,29,30,31);1-2H;1H;/q;;-1;;+2/p-1
• InChIKey: TYDKEEGBDVIAOZ-UHFFFAOYSA-M
• XLogP: 11.54
• TPSA: 219.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1274.49
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide?

The IUPAC name of bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide (CID 160846360) is bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide.

What is the SMILES notation for bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide?

The canonical SMILES for bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide is CNC(=O)c1ccc(Nc2ncc3cc(-c4nccs4)c(OCC4CCNCC4)cc3n2)cc1.CNC(=O)c1ccc(Nc2ncc3cc(Br)c(OCC4CCN(C(=O)OC(C)(C)C)CC4)cc3n2)cc1.[Zn+]Br.[c-]1nccs1.

What is the InChIKey of bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide?

The InChIKey is TYDKEEGBDVIAOZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H32BrN5O4.C25H26N6O2S.C3H2NS.BrH.Zn/c1-27(2,3)37-26(35)33-11-9-17(10-12-33)16-36-23-14-22-19(13-21(23)28)15-30-25(32-22)31-20-7-5-18(6-8-20)24(34)29-4;1-26-23(32)17-2-4-19(5-3-17)30-25-29-14-18-12-20(24-28-10-11-34-24)22(13-21(18)31-25)33-15-16-6-8-27-9-7-16;1-2-5-3-4-1;;/h5-8,13-15,17H,9-12,16H2,1-4H3,(H,29,34)(H,30,31,32);2-5,10-14,16,27H,6-9,15H2,1H3,(H,26,32)(H,29,30,31);1-2H;1H;/q;;-1;;+2/p-1.

What are the key properties of bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide?

bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide has a molecular weight of 1274.49 g/mol, XLogP of 11.54, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bromozinc(1+);tert-butyl 4-[[6-bromo-2-[4-(methylcarbamoyl)anilino]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;N-methyl-4-[[7-(piperidin-4-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]benzamide;2H-1,3-thiazol-2-ide is sourced from PubChem (CID 160846360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).