(2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one

C14H20NO4PS — CID 2337360

IUPAC(2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCCOP(=O)(CN1C(=O)CS[C@H]1c1ccccc1)OCC
InChIInChI=1S/C14H20NO4PS/c1-3-18-20(17,19-4-2)11-15-13(16)10-21-14(15)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3/t14-/m0/s1
InChIKeyNRNRGHTYPXHVMB-AWEZNQCLSA-N
MW329.36 g/mol
LogP3.48
Rot. Bonds7

About (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one

(2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 2337360) has the molecular formula C14H20NO4PS and a molecular weight of 329.36 g/mol. Its IUPAC name is (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID2337360
Molecular FormulaC14H20NO4PS
Molecular Weight329.36 g/mol
Exact Mass329.09
IUPAC Name(2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCCOP(=O)(CN1C(=O)CS[C@H]1c1ccccc1)OCC
InChIInChI=1S/C14H20NO4PS/c1-3-18-20(17,19-4-2)11-15-13(16)10-21-14(15)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3/t14-/m0/s1
InChIKeyNRNRGHTYPXHVMB-AWEZNQCLSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one (CID 2337360) is (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one is CCOP(=O)(CN1C(=O)CS[C@H]1c1ccccc1)OCC.
What is the InChIKey of (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is NRNRGHTYPXHVMB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20NO4PS/c1-3-18-20(17,19-4-2)11-15-13(16)10-21-14(15)12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one?
(2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(diethoxyphosphorylmethyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2337360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).