(2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one

C19H29NO2S2Si — CID 101257345

IUPAC(2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one
SMILESCC[Si](CC)(CC)O[C@@H](c1ccccc1)[C@@H](C)C(=O)N1CCSC1=S
InChIInChI=1S/C19H29NO2S2Si/c1-5-25(6-2,7-3)22-17(16-11-9-8-10-12-16)15(4)18(21)20-13-14-24-19(20)23/h8-12,15,17H,5-7,13-14H2,1-4H3/t15-,17-/m1/s1
InChIKeyMPPVNVVJVASYAD-NVXWUHKLSA-N
MW395.67 g/mol
LogP5.25
Rot. Bonds8

About (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one

(2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one (PubChem CID 101257345) has the molecular formula C19H29NO2S2Si and a molecular weight of 395.67 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one
PubChem CID101257345
Molecular FormulaC19H29NO2S2Si
Molecular Weight395.67 g/mol
Exact Mass395.14
IUPAC Name(2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one
SMILESCC[Si](CC)(CC)O[C@@H](c1ccccc1)[C@@H](C)C(=O)N1CCSC1=S
InChIInChI=1S/C19H29NO2S2Si/c1-5-25(6-2,7-3)22-17(16-11-9-8-10-12-16)15(4)18(21)20-13-14-24-19(20)23/h8-12,15,17H,5-7,13-14H2,1-4H3/t15-,17-/m1/s1
InChIKeyMPPVNVVJVASYAD-NVXWUHKLSA-N
XLogP5.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl (2S,3S,4R,5S)-3-hydroxy-2,4-dimethyl-5-phenyl-5-triethylsilyloxypentanoate
CID 132570563
(2S)-1-phenyl-2-[(S)-phenyl(triethylsilyloxy)methyl]butan-1-one
CID 101269774
2-(4-propan-2-ylphenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 94288730
2-phenylmethoxy-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 13289317
1,1,1,3,3,3-hexafluoropropan-2-yl (3S,4S,5S)-3-hydroxy-4-methyl-2-methylidene-5-phenyl-5-triethylsilyloxypentanoate
CID 132570553
1,1,1,3,3,3-hexafluoropropan-2-yl (3R,4S,5S)-3-hydroxy-4-methyl-2-methylidene-5-phenyl-5-triethylsilyloxypentanoate
CID 132570554
[(2R)-3-oxo-7-phenylmethoxyheptan-2-yl] 2-sulfanylidene-1,3-thiazolidine-3-carboxylate
CID 139685184
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 110713052
(E)-6-ethyl-1-hydroxy-2-methyl-1-phenyl-7-triethylsilyloxyoct-4-en-3-one
CID 5375982
[2-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)phenyl]methyl benzoate
CID 176762017
methane;triethyl-[fluoro(phenyl)methoxy]silane
CID 20979577
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202862

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one?
The IUPAC name of (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one (CID 101257345) is (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one.
What is the SMILES notation for (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one?
The canonical SMILES for (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one is CC[Si](CC)(CC)O[C@@H](c1ccccc1)[C@@H](C)C(=O)N1CCSC1=S.
What is the InChIKey of (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one?
The InChIKey is MPPVNVVJVASYAD-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H29NO2S2Si/c1-5-25(6-2,7-3)22-17(16-11-9-8-10-12-16)15(4)18(21)20-13-14-24-19(20)23/h8-12,15,17H,5-7,13-14H2,1-4H3/t15-,17-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one?
(2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one has a molecular weight of 395.67 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-phenyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)-3-triethylsilyloxypropan-1-one is sourced from PubChem (CID 101257345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).