(1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol

C20H32N2O2SSi — CID 100714202

IUPAC(1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNC[C@H](O)c2ccccc2)s1
InChIInChI=1S/C20H32N2O2SSi/c1-15(24-26(5,6)20(2,3)4)19-22-13-17(25-19)12-21-14-18(23)16-10-8-7-9-11-16/h7-11,13,15,18,21,23H,12,14H2,1-6H3/t15-,18+/m1/s1
InChIKeyDVJZDTPLEUPPDF-QAPCUYQASA-N
MW392.64 g/mol
LogP5.05
Rot. Bonds8

About (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol

(1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol (PubChem CID 100714202) has the molecular formula C20H32N2O2SSi and a molecular weight of 392.64 g/mol. Its IUPAC name is (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol
PubChem CID100714202
Molecular FormulaC20H32N2O2SSi
Molecular Weight392.64 g/mol
Exact Mass392.20
IUPAC Name(1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNC[C@H](O)c2ccccc2)s1
InChIInChI=1S/C20H32N2O2SSi/c1-15(24-26(5,6)20(2,3)4)19-22-13-17(25-19)12-21-14-18(23)16-10-8-7-9-11-16/h7-11,13,15,18,21,23H,12,14H2,1-6H3/t15-,18+/m1/s1
InChIKeyDVJZDTPLEUPPDF-QAPCUYQASA-N
XLogP5.05
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.64
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-[(5-methylthiophen-2-yl)methylamino]-1-phenylethanol
CID 7248561
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-phenylpentan-1-ol
CID 10542729
methyl 2-[5-[[(2-hydroxy-2-phenylethyl)amino]methyl]thiophen-2-yl]acetate
CID 82886709
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylbutan-1-amine
CID 103617029
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(1R)-2-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-1-(4-fluorophenyl)ethanol
CID 94181797
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
1-(4-chlorophenyl)-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]ethanol
CID 111974591
2-[(2-methyl-1H-imidazol-5-yl)methylamino]-1-phenylethanol
CID 62743070
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-phenylethanol
CID 83075613
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol (CID 100714202) is (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol is C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNC[C@H](O)c2ccccc2)s1.
What is the InChIKey of (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol?
The InChIKey is DVJZDTPLEUPPDF-QAPCUYQASA-N. The full InChI is InChI=1S/C20H32N2O2SSi/c1-15(24-26(5,6)20(2,3)4)19-22-13-17(25-19)12-21-14-18(23)16-10-8-7-9-11-16/h7-11,13,15,18,21,23H,12,14H2,1-6H3/t15-,18+/m1/s1.
What are the key properties of (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol?
(1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol has a molecular weight of 392.64 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-thiazol-5-yl]methylamino]-1-phenylethanol is sourced from PubChem (CID 100714202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).