(3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one

C22H35NO3S2Si — CID 24767473

IUPAC(3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCC[Si](CC)(CC)OC(C)(C)[C@@H]1CSC(=S)N1C(=O)C[C@@H](OC)c1ccccc1
InChIInChI=1S/C22H35NO3S2Si/c1-7-29(8-2,9-3)26-22(4,5)19-16-28-21(27)23(19)20(24)15-18(25-6)17-13-11-10-12-14-17/h10-14,18-19H,7-9,15-16H2,1-6H3/t18-,19+/m1/s1
InChIKeyRPAGKIQKZRHFNC-MOPGFXCFSA-N
MW453.75 g/mol
LogP5.79
Rot. Bonds10

About (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one

(3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 24767473) has the molecular formula C22H35NO3S2Si and a molecular weight of 453.75 g/mol. Its IUPAC name is (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name(3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID24767473
Molecular FormulaC22H35NO3S2Si
Molecular Weight453.75 g/mol
Exact Mass453.18
IUPAC Name(3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCC[Si](CC)(CC)OC(C)(C)[C@@H]1CSC(=S)N1C(=O)C[C@@H](OC)c1ccccc1
InChIInChI=1S/C22H35NO3S2Si/c1-7-29(8-2,9-3)26-22(4,5)19-16-28-21(27)23(19)20(24)15-18(25-6)17-13-11-10-12-14-17/h10-14,18-19H,7-9,15-16H2,1-6H3/t18-,19+/m1/s1
InChIKeyRPAGKIQKZRHFNC-MOPGFXCFSA-N
XLogP5.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.75
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,6R)-1-((R)-4-Benzyl-2-thioxothiazolidin-3-yl)-2,4,6-trimethyl-3,7-bis(triisopropylsilyloxy)heptan-1-one
CID 9543587
(2R,3S)-3-methoxy-2-methyl-3-phenyl-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]propan-1-one
CID 11256220
(2R,3R)-2,4-dimethyl-3-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]pentan-1-one
CID 12062546
(2R,3S,4S,6R,7R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6-trimethylnon-8-en-1-one
CID 24884889
(2R,3S)-2,4-dimethyl-3-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]pentan-1-one
CID 134931838
(2S,3R,6R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylmethoxyheptan-1-one
CID 135023385
(2R,3R,4E,9R,10E,12E,14R,15R)-15-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-9-methoxy-14-(methoxymethoxy)-2,4,10-trimethyl-15-phenyl-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]pentadeca-4,10,12-trien-1-one
CID 135026632
(2R,3R,4E,9R,10E,12E,14R,15R)-15-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-14-(methoxymethoxy)-2,4,10-trimethyl-15-phenyl-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-triethylsilyloxypentadeca-4,10,12-trien-1-one
CID 135026633
(2S,3R)-2-methyl-3-(4-methylphenyl)-1-(2-sulfanylidene-1,3-thiazinan-3-yl)-3-tri(propan-2-yl)silyloxypropan-1-one
CID 162418760
(3R)-3-phenyl-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-triethylsilyloxypropan-1-one
CID 166448522
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)-1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]butan-1-one
CID 15660447
(E,2R,3S,6S,7S)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6-dimethylnon-4-en-1-one
CID 153699925

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one (CID 24767473) is (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one is CC[Si](CC)(CC)OC(C)(C)[C@@H]1CSC(=S)N1C(=O)C[C@@H](OC)c1ccccc1.
What is the InChIKey of (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is RPAGKIQKZRHFNC-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H35NO3S2Si/c1-7-29(8-2,9-3)26-22(4,5)19-16-28-21(27)23(19)20(24)15-18(25-6)17-13-11-10-12-14-17/h10-14,18-19H,7-9,15-16H2,1-6H3/t18-,19+/m1/s1.
What are the key properties of (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one?
(3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 453.75 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-3-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 24767473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).