(E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one

C23H35NO3S2Si — CID 11317259

IUPAC(E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one
SMILESCC[Si](CC)(CC)OC(C)(C)[C@@H]1CSC(=S)N1C(=O)C[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C23H35NO3S2Si/c1-6-30(7-2,8-3)27-23(4,5)20-17-29-22(28)24(20)21(26)16-19(25)15-14-18-12-10-9-11-13-18/h9-15,19-20,25H,6-8,16-17H2,1-5H3/b15-14+/t19-,20-/m0/s1
InChIKeyJBVUZQSGIOLRQQ-JKZZLZBNSA-N
MW465.76 g/mol
LogP5.48
Rot. Bonds10

About (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one

(E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one (PubChem CID 11317259) has the molecular formula C23H35NO3S2Si and a molecular weight of 465.76 g/mol. Its IUPAC name is (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one.

Molecular Properties

Compound Name(E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one
PubChem CID11317259
Molecular FormulaC23H35NO3S2Si
Molecular Weight465.76 g/mol
Exact Mass465.18
IUPAC Name(E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one
SMILESCC[Si](CC)(CC)OC(C)(C)[C@@H]1CSC(=S)N1C(=O)C[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C23H35NO3S2Si/c1-6-30(7-2,8-3)27-23(4,5)20-17-29-22(28)24(20)21(26)16-19(25)15-14-18-12-10-9-11-13-18/h9-15,19-20,25H,6-8,16-17H2,1-5H3/b15-14+/t19-,20-/m0/s1
InChIKeyJBVUZQSGIOLRQQ-JKZZLZBNSA-N
XLogP5.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.76
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one with MolForge

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Related Compounds

(2S,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2-methylpentan-1-one
CID 25187603
(R)-3-[(2R,3S)-3-Hydroxy-2-methyl-1-oxopentyl]-4-benzyl-1,3-thiazolidine-2-thione
CID 9543576
(R)-3-[(2R,3S)-2-Methyl-1-oxo-3-(triethylsilyloxy)pentyl]-4-benzyl-1,3-thiazolidine-2-thione
CID 9543577
(E,3R)-3-hydroxy-5-phenyl-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]pent-4-en-1-one
CID 11056787
(2S,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2,4-dimethylpent-4-en-1-one
CID 11393521
(2S,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2-methylpent-4-en-1-one
CID 11544297
(2R,3S)-1-[(4R)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2-methylpent-4-en-1-one
CID 12003278
(E,2S,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2-methyl-5-phenylpent-4-en-1-one
CID 12099266
(E,3S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-4,6-dimethyl-1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]hept-4-en-1-one
CID 12158961
(E,2S,3S)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2-methyl-5-phenylpent-4-en-1-one
CID 12964958
(E,2S,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2,4-dimethyl-5-phenylpent-4-en-1-one
CID 12964960
(E,2R,3S)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2,4-dimethyl-5-phenylpent-4-en-1-one
CID 12964961

Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one?
The IUPAC name of (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one (CID 11317259) is (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one.
What is the SMILES notation for (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one?
The canonical SMILES for (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one is CC[Si](CC)(CC)OC(C)(C)[C@@H]1CSC(=S)N1C(=O)C[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one?
The InChIKey is JBVUZQSGIOLRQQ-JKZZLZBNSA-N. The full InChI is InChI=1S/C23H35NO3S2Si/c1-6-30(7-2,8-3)27-23(4,5)20-17-29-22(28)24(20)21(26)16-19(25)15-14-18-12-10-9-11-13-18/h9-15,19-20,25H,6-8,16-17H2,1-5H3/b15-14+/t19-,20-/m0/s1.
What are the key properties of (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one?
(E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one has a molecular weight of 465.76 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-hydroxy-5-phenyl-1-[(4R)-2-sulfanylidene-4-(2-triethylsilyloxypropan-2-yl)-1,3-thiazolidin-3-yl]pent-4-en-1-one is sourced from PubChem (CID 11317259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).