2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane

C111H132Br2Cl4N20O10S3Sn — CID 160641105

About 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane

2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane (PubChem CID 160641105) has the molecular formula C111H132Br2Cl4N20O10S3Sn and a molecular weight of 2422.94 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane.

Molecular Properties

• Compound Name: 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane
• PubChem CID: 160641105
• Molecular Formula: C111H132Br2Cl4N20O10S3Sn
• Molecular Weight: 2422.94 g/mol
• Exact Mass: 2418.57
• IUPAC Name: 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane
• SMILES: Brc1ccccc1-c1nccs1.C.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4-c4nccs4)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccccc4-c4nccs4)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Br)c(Cl)cc23)CC1.CCCC[Sn](C)(CCCC)CCCC.Cc1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1[N+](=O)[O-]
• InChI: InChI=1S/C26H26ClN5O2S.C24H20ClN5OS.C18H23N5O4.C17H20BrClN4O2.C9H6BrNS.3C4H9.C3H3ClO.CH4.CH3.Sn/c1-26(2,3)34-25(33)32-11-9-31(10-12-32)23-20-14-21(27)19(15-22(20)29-16-30-23)17-6-4-5-7-18(17)24-28-8-13-35-24;1-2-22(31)29-8-10-30(11-9-29)23-19-13-20(25)18(14-21(19)27-15-28-23)16-5-3-4-6-17(16)24-26-7-12-32-24;1-12-9-14-13(10-15(12)23(25)26)16(20-11-19-14)21-5-7-22(8-6-21)17(24)27-18(2,3)4;1-17(2,3)25-16(24)23-6-4-22(5-7-23)15-11-8-13(19)12(18)9-14(11)20-10-21-15;10-8-4-2-1-3-7(8)9-11-5-6-12-9;3*1-3-4-2;1-2-3(4)5;;;/h4-8,13-16H,9-12H2,1-3H3;2-7,12-15H,1,8-11H2;9-11H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;1-6H;3*1,3-4H2,2H3;2H,1H2;1H4;1H3
• InChIKey: RJEKXGRBWLKXSU-UHFFFAOYSA-N
• XLogP: 28.66
• TPSA: 323.89 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.94
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane?

The IUPAC name of 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane (CID 160641105) is 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane.

What is the SMILES notation for 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane?

The canonical SMILES for 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane is Brc1ccccc1-c1nccs1.C.C=CC(=O)Cl.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4-c4nccs4)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(-c4ccccc4-c4nccs4)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCN(c2ncnc3cc(Br)c(Cl)cc23)CC1.CCCC[Sn](C)(CCCC)CCCC.Cc1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1[N+](=O)[O-].

What is the InChIKey of 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane?

The InChIKey is RJEKXGRBWLKXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O2S.C24H20ClN5OS.C18H23N5O4.C17H20BrClN4O2.C9H6BrNS.3C4H9.C3H3ClO.CH4.CH3.Sn/c1-26(2,3)34-25(33)32-11-9-31(10-12-32)23-20-14-21(27)19(15-22(20)29-16-30-23)17-6-4-5-7-18(17)24-28-8-13-35-24;1-2-22(31)29-8-10-30(11-9-29)23-19-13-20(25)18(14-21(19)27-15-28-23)16-5-3-4-6-17(16)24-26-7-12-32-24;1-12-9-14-13(10-15(12)23(25)26)16(20-11-19-14)21-5-7-22(8-6-21)17(24)27-18(2,3)4;1-17(2,3)25-16(24)23-6-4-22(5-7-23)15-11-8-13(19)12(18)9-14(11)20-10-21-15;10-8-4-2-1-3-7(8)9-11-5-6-12-9;3*1-3-4-2;1-2-3(4)5;;;/h4-8,13-16H,9-12H2,1-3H3;2-7,12-15H,1,8-11H2;9-11H,5-8H2,1-4H3;8-10H,4-7H2,1-3H3;1-6H;3*1,3-4H2,2H3;2H,1H2;1H4;1H3;.

What are the key properties of 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane?

2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane has a molecular weight of 2422.94 g/mol, XLogP of 28.66, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bromophenyl)-1,3-thiazole;tert-butyl 4-(7-bromo-6-chloroquinazolin-4-yl)piperazine-1-carboxylate;tert-butyl 4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazine-1-carboxylate;tert-butyl 4-(7-methyl-6-nitroquinazolin-4-yl)piperazine-1-carboxylate;1-[4-[6-chloro-7-[2-(1,3-thiazol-2-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;methane;prop-2-enoyl chloride;tributyl(methyl)stannane is sourced from PubChem (CID 160641105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).