(4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol

C69H66BrF12N9O6S3Si2 — CID 159290824

About (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol

(4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 159290824) has the molecular formula C69H66BrF12N9O6S3Si2 and a molecular weight of 1577.60 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

• Compound Name: (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol
• PubChem CID: 159290824
• Molecular Formula: C69H66BrF12N9O6S3Si2
• Molecular Weight: 1577.60 g/mol
• Exact Mass: 1575.28
• IUPAC Name: (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol
• SMILES: CC(C)(C)[Si](C)(C)OCc1nc(Br)cs1.CC(C)(C)[Si](C)(C)OCc1nc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cs1.O=C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.OCc1nc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cs1
• InChI: InChI=1S/C25H27F4N3O2SSi.C19H13F4N3O2S.C15H8F4N2O.C10H18BrNOSSi/c1-23(2,3)36(4,5)34-14-22-31-21(15-35-22)24(33,25(27,28)29)17-6-11-20-16(12-17)13-30-32(20)19-9-7-18(26)8-10-19;20-13-2-4-14(5-3-13)26-15-6-1-12(7-11(15)8-24-26)18(28,19(21,22)23)16-10-29-17(9-27)25-16;16-11-2-4-12(5-3-11)21-13-6-1-9(7-10(13)8-20-21)14(22)15(17,18)19;1-10(2,3)15(4,5)13-6-9-12-8(11)7-14-9/h6-13,15,33H,14H2,1-5H3;1-8,10,27-28H,9H2;1-8H;7H,6H2,1-5H3
• InChIKey: LACCMTWAVCDXQS-UHFFFAOYSA-N
• XLogP: 19.19
• TPSA: 188.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.60
LogP ≤ 5	19.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol?

The IUPAC name of (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol (CID 159290824) is (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol.

What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol?

The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol is CC(C)(C)[Si](C)(C)OCc1nc(Br)cs1.CC(C)(C)[Si](C)(C)OCc1nc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cs1.O=C(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F.OCc1nc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)cs1.

What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol?

The InChIKey is LACCMTWAVCDXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F4N3O2SSi.C19H13F4N3O2S.C15H8F4N2O.C10H18BrNOSSi/c1-23(2,3)36(4,5)34-14-22-31-21(15-35-22)24(33,25(27,28)29)17-6-11-20-16(12-17)13-30-32(20)19-9-7-18(26)8-10-19;20-13-2-4-14(5-3-13)26-15-6-1-12(7-11(15)8-24-26)18(28,19(21,22)23)16-10-29-17(9-27)25-16;16-11-2-4-12(5-3-11)21-13-6-1-9(7-10(13)8-20-21)14(22)15(17,18)19;1-10(2,3)15(4,5)13-6-9-12-8(11)7-14-9/h6-13,15,33H,14H2,1-5H3;1-8,10,27-28H,9H2;1-8H;7H,6H2,1-5H3.

What are the key properties of (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol?

(4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 1577.60 g/mol, XLogP of 19.19, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (4-bromo-1,3-thiazol-2-yl)methoxy-tert-butyl-dimethylsilane;1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-4-yl]-2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanol;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]ethanone;2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 159290824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).