[(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate

C20H19NO5S — CID 10385399

IUPAC[(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate
SMILESCC(=O)N1C[C@@H](OC(=O)c2ccccc2)S[C@@H]1COC(=O)c1ccccc1
InChIInChI=1S/C20H19NO5S/c1-14(22)21-12-18(26-20(24)16-10-6-3-7-11-16)27-17(21)13-25-19(23)15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3/t17-,18+/m1/s1
InChIKeyZRMGIQMAFLFIPB-MSOLQXFVSA-N
MW385.44 g/mol
LogP2.95
Rot. Bonds5

About [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate

[(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate (PubChem CID 10385399) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate
PubChem CID10385399
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name[(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate
SMILESCC(=O)N1C[C@@H](OC(=O)c2ccccc2)S[C@@H]1COC(=O)c1ccccc1
InChIInChI=1S/C20H19NO5S/c1-14(22)21-12-18(26-20(24)16-10-6-3-7-11-16)27-17(21)13-25-19(23)15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3/t17-,18+/m1/s1
InChIKeyZRMGIQMAFLFIPB-MSOLQXFVSA-N
XLogP2.95
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R,4R)-5-acetyloxy-3,4-dibenzoyloxythiolan-2-yl]methyl benzoate
CID 14679158
(3-acetyl-4-oxo-1,3-thiazolidin-2-yl)methyl benzoate
CID 121004136
[(2R,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-[(1S)-1-benzoyloxyethyl]oxan-2-yl]methyl benzoate
CID 10747502
[(2R,3R)-3-benzoyloxy-5-[(3E)-3-methylpenta-1,3-dien-2-yl]oxythiolan-2-yl]methyl benzoate
CID 144905462
[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate
CID 140504984
[(2R,3S,4S)-5-acetyloxy-3-benzoyloxy-4-phenylmethoxycarbonyloxythiolan-2-yl]methyl benzoate
CID 118337901
[(2S)-5-acetyloxythiolan-2-yl]methyl 4-phenylbenzoate
CID 118338063
[(2R,4S,5S)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 2783912
[(2S,3S,4R,5R)-5-acetyloxy-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate
CID 44629946
[(2R,3R,4S)-3,4,5-tris[(4-phenylbenzoyl)oxy]thiolan-2-yl]methyl 4-phenylbenzoate
CID 118337718
[(2R,3R,4R,5S)-5-acetyloxy-3,4-dibenzoyloxy(513C)oxolan-2-yl]methyl benzoate
CID 165412453
[(2R,4S)-4-methyl-1,3-oxathiolan-2-yl]methyl benzoate
CID 163488154

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate?
The IUPAC name of [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate (CID 10385399) is [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate?
The canonical SMILES for [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate is CC(=O)N1C[C@@H](OC(=O)c2ccccc2)S[C@@H]1COC(=O)c1ccccc1.
What is the InChIKey of [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate?
The InChIKey is ZRMGIQMAFLFIPB-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-14(22)21-12-18(26-20(24)16-10-6-3-7-11-16)27-17(21)13-25-19(23)15-8-4-2-5-9-15/h2-11,17-18H,12-13H2,1H3/t17-,18+/m1/s1.
What are the key properties of [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate?
[(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate has a molecular weight of 385.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-3-acetyl-5-benzoyloxy-1,3-thiazolidin-2-yl]methyl benzoate is sourced from PubChem (CID 10385399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).