4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane)

C187H236Br2N18O25S6Sn2 — CID 159655250

About 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane)

4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane) (PubChem CID 159655250) has the molecular formula C187H236Br2N18O25S6Sn2 and a molecular weight of 3725.68 g/mol. Its IUPAC name is 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane).

Molecular Properties

• Compound Name: 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane)
• PubChem CID: 159655250
• Molecular Formula: C187H236Br2N18O25S6Sn2
• Molecular Weight: 3725.68 g/mol
• Exact Mass: 3723.25
• IUPAC Name: 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane)
• SMILES: CC(C)(C#Cc1cccc(COc2cc(Br)cnc2[N+](=O)[O-])c1)OC1CCCCO1.CC(C)(C#Cc1cccc(COc2cc(Br)cnc2[N+](=O)[O-])c1)OC1CCCCO1.CC(C)c1ncc(-c2cnc(N)c(OCc3cccc(C#CC(C)(C)O)c3)c2)s1.CC(C)c1ncc(-c2cnc(N)c(OCc3cccc(C#CC(C)(C)OC4CCCCO4)c3)c2)s1.CC(C)c1ncc(-c2cnc([N+](=O)[O-])c(OCc3cccc(C#CC(C)(C)OC4CCCCO4)c3)c2)s1.CC(C)c1ncc(-c2cnc([N+](=O)[O-])c(OCc3cccc(C#CC(C)(C)OC4CCCCO4)c3)c2)s1.CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)C)s1.CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)C)s1
• InChI: InChI=1S/2C28H31N3O5S.C28H33N3O3S.C23H25N3O2S.2C22H23BrN2O5.2C6H8NS.6C4H9.2Sn/c2*1-19(2)27-30-17-24(37-27)22-15-23(26(29-16-22)31(32)33)35-18-21-9-7-8-20(14-21)11-12-28(3,4)36-25-10-5-6-13-34-25;1-19(2)27-31-17-24(35-27)22-15-23(26(29)30-16-22)33-18-21-9-7-8-20(14-21)11-12-28(3,4)34-25-10-5-6-13-32-25;1-15(2)22-26-13-20(29-22)18-11-19(21(24)25-12-18)28-14-17-7-5-6-16(10-17)8-9-23(3,4)27;2*1-22(2,30-20-8-3-4-11-28-20)10-9-16-6-5-7-17(12-16)15-29-19-13-18(23)14-24-21(19)25(26)27;2*1-5(2)6-7-3-4-8-6;6*1-3-4-2;;/h2*7-9,14-17,19,25H,5-6,10,13,18H2,1-4H3;7-9,14-17,19,25H,5-6,10,13,18H2,1-4H3,(H2,29,30);5-7,10-13,15,27H,14H2,1-4H3,(H2,24,25);2*5-7,12-14,20H,3-4,8,11,15H2,1-2H3;2*3,5H,1-2H3;6*1,3-4H2,2H3
• InChIKey: MSBYZPSMWGMYNE-UHFFFAOYSA-N
• XLogP: 46.41
• TPSA: 547.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 62
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3725.68
LogP ≤ 5	46.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane)?

The IUPAC name of 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane) (CID 159655250) is 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane).

What is the SMILES notation for 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane)?

The canonical SMILES for 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane) is CC(C)(C#Cc1cccc(COc2cc(Br)cnc2[N+](=O)[O-])c1)OC1CCCCO1.CC(C)(C#Cc1cccc(COc2cc(Br)cnc2[N+](=O)[O-])c1)OC1CCCCO1.CC(C)c1ncc(-c2cnc(N)c(OCc3cccc(C#CC(C)(C)O)c3)c2)s1.CC(C)c1ncc(-c2cnc(N)c(OCc3cccc(C#CC(C)(C)OC4CCCCO4)c3)c2)s1.CC(C)c1ncc(-c2cnc([N+](=O)[O-])c(OCc3cccc(C#CC(C)(C)OC4CCCCO4)c3)c2)s1.CC(C)c1ncc(-c2cnc([N+](=O)[O-])c(OCc3cccc(C#CC(C)(C)OC4CCCCO4)c3)c2)s1.CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)C)s1.CCCC[Sn](CCCC)(CCCC)c1cnc(C(C)C)s1.

What is the InChIKey of 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane)?

The InChIKey is MSBYZPSMWGMYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31N3O5S.C28H33N3O3S.C23H25N3O2S.2C22H23BrN2O5.2C6H8NS.6C4H9.2Sn/c2*1-19(2)27-30-17-24(37-27)22-15-23(26(29-16-22)31(32)33)35-18-21-9-7-8-20(14-21)11-12-28(3,4)36-25-10-5-6-13-34-25;1-19(2)27-31-17-24(35-27)22-15-23(26(29)30-16-22)33-18-21-9-7-8-20(14-21)11-12-28(3,4)34-25-10-5-6-13-32-25;1-15(2)22-26-13-20(29-22)18-11-19(21(24)25-12-18)28-14-17-7-5-6-16(10-17)8-9-23(3,4)27;2*1-22(2,30-20-8-3-4-11-28-20)10-9-16-6-5-7-17(12-16)15-29-19-13-18(23)14-24-21(19)25(26)27;2*1-5(2)6-7-3-4-8-6;6*1-3-4-2;;/h2*7-9,14-17,19,25H,5-6,10,13,18H2,1-4H3;7-9,14-17,19,25H,5-6,10,13,18H2,1-4H3,(H2,29,30);5-7,10-13,15,27H,14H2,1-4H3,(H2,24,25);2*5-7,12-14,20H,3-4,8,11,15H2,1-2H3;2*3,5H,1-2H3;6*1,3-4H2,2H3;;.

What are the key properties of 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane)?

4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane) has a molecular weight of 3725.68 g/mol, XLogP of 46.41, 62 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[[2-amino-5-(2-propan-2-yl-1,3-thiazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol;bis(5-bromo-3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-2-nitropyridine);bis(5-[5-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-6-nitro-3-pyridinyl]-2-propan-2-yl-1,3-thiazole);3-[[3-[3-methyl-3-(oxan-2-yloxy)but-1-ynyl]phenyl]methoxy]-5-(2-propan-2-yl-1,3-thiazol-5-yl)pyridin-2-amine;bis(tributyl-(2-propan-2-yl-1,3-thiazol-5-yl)stannane) is sourced from PubChem (CID 159655250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).