N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide

C27H38N4O3SSi — CID 59063644

IUPACN-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](CNCCOc2ccc(-c3csc(C)n3)cc2)O[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C27H38N4O3SSi/c1-19(32)30-26-13-10-22(16-29-26)25(34-36(6,7)27(3,4)5)17-28-14-15-33-23-11-8-21(9-12-23)24-18-35-20(2)31-24/h8-13,16,18,25,28H,14-15,17H2,1-7H3,(H,29,30,32)/t25-/m1/s1
InChIKeyZXZPLYGTYWRFPC-RUZDIDTESA-N
MW526.78 g/mol
LogP6.20
Rot. Bonds11

About N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide

N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide (PubChem CID 59063644) has the molecular formula C27H38N4O3SSi and a molecular weight of 526.78 g/mol. Its IUPAC name is N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide
PubChem CID59063644
Molecular FormulaC27H38N4O3SSi
Molecular Weight526.78 g/mol
Exact Mass526.24
IUPAC NameN-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H](CNCCOc2ccc(-c3csc(C)n3)cc2)O[Si](C)(C)C(C)(C)C)cn1
InChIInChI=1S/C27H38N4O3SSi/c1-19(32)30-26-13-10-22(16-29-26)25(34-36(6,7)27(3,4)5)17-28-14-15-33-23-11-8-21(9-12-23)24-18-35-20(2)31-24/h8-13,16,18,25,28H,14-15,17H2,1-7H3,(H,29,30,32)/t25-/m1/s1
InChIKeyZXZPLYGTYWRFPC-RUZDIDTESA-N
XLogP6.20
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.78
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
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N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
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CID 19194823
4-butoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533935
(1R)-1-pyridin-3-yl-2-[2-[4-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]ethanol
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2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62545171
N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide (CID 59063644) is N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc([C@@H](CNCCOc2ccc(-c3csc(C)n3)cc2)O[Si](C)(C)C(C)(C)C)cn1.
What is the InChIKey of N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide?
The InChIKey is ZXZPLYGTYWRFPC-RUZDIDTESA-N. The full InChI is InChI=1S/C27H38N4O3SSi/c1-19(32)30-26-13-10-22(16-29-26)25(34-36(6,7)27(3,4)5)17-28-14-15-33-23-11-8-21(9-12-23)24-18-35-20(2)31-24/h8-13,16,18,25,28H,14-15,17H2,1-7H3,(H,29,30,32)/t25-/m1/s1.
What are the key properties of N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide?
N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide has a molecular weight of 526.78 g/mol, XLogP of 6.20, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethylamino]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 59063644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).