N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

C33H58FN3O4S2Si2 — CID 167359012

IUPACN-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)N=S(=O)(N[Si](C)(C)C(C)(C)C)c1sc(C(C)(C)O)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H58FN3O4S2Si2/c1-21(2)24-17-23(34)18-25(22(3)4)26(24)19-28(38)36-43(40,37-44(13,14)31(5,6)7)29-27(35-30(42-29)33(11,12)39)20-41-45(15,16)32(8,9)10/h17-18,21-22,39H,19-20H2,1-16H3,(H,36,37,38,40)
InChIKeySDCJYFZJTXDWHF-UHFFFAOYSA-N
MW700.15 g/mol
LogP9.38
Rot. Bonds11

About N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 167359012) has the molecular formula C33H58FN3O4S2Si2 and a molecular weight of 700.15 g/mol. Its IUPAC name is N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID167359012
Molecular FormulaC33H58FN3O4S2Si2
Molecular Weight700.15 g/mol
Exact Mass699.34
IUPAC NameN-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)N=S(=O)(N[Si](C)(C)C(C)(C)C)c1sc(C(C)(C)O)nc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H58FN3O4S2Si2/c1-21(2)24-17-23(34)18-25(22(3)4)26(24)19-28(38)36-43(40,37-44(13,14)31(5,6)7)29-27(35-30(42-29)33(11,12)39)20-41-45(15,16)32(8,9)10/h17-18,21-22,39H,19-20H2,1-16H3,(H,36,37,38,40)
InChIKeySDCJYFZJTXDWHF-UHFFFAOYSA-N
XLogP9.38
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.15
LogP ≤ 59.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 167359012) is N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)N=S(=O)(N[Si](C)(C)C(C)(C)C)c1sc(C(C)(C)O)nc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is SDCJYFZJTXDWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58FN3O4S2Si2/c1-21(2)24-17-23(34)18-25(22(3)4)26(24)19-28(38)36-43(40,37-44(13,14)31(5,6)7)29-27(35-30(42-29)33(11,12)39)20-41-45(15,16)32(8,9)10/h17-18,21-22,39H,19-20H2,1-16H3,(H,36,37,38,40).
What are the key properties of N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 700.15 g/mol, XLogP of 9.38, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[tert-butyl(dimethyl)silyl]amino]-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 167359012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).