O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate

C15H19NO4S2 — CID 54317297

IUPACO-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
SMILESCOc1ccccc1OC[C@@H]1SCCN1C(=O)COC(C)=S
InChIInChI=1S/C15H19NO4S2/c1-11(21)19-9-14(17)16-7-8-22-15(16)10-20-13-6-4-3-5-12(13)18-2/h3-6,15H,7-10H2,1-2H3/t15-/m0/s1
InChIKeySPCWUYIEPIRSGA-HNNXBMFYSA-N
MW341.45 g/mol
LogP2.34
Rot. Bonds6

About O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate

O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate (PubChem CID 54317297) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate.

Molecular Properties

Compound NameO-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
PubChem CID54317297
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC NameO-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate
SMILESCOc1ccccc1OC[C@@H]1SCCN1C(=O)COC(C)=S
InChIInChI=1S/C15H19NO4S2/c1-11(21)19-9-14(17)16-7-8-22-15(16)10-20-13-6-4-3-5-12(13)18-2/h3-6,15H,7-10H2,1-2H3/t15-/m0/s1
InChIKeySPCWUYIEPIRSGA-HNNXBMFYSA-N
XLogP2.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-sulfanylethanone
CID 10380016
methyl 2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethanesulfinate
CID 67898984
3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 3074757
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]butane-1,2-dione
CID 67937248
ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
CID 3074756
N-(cyclohexylmethyl)-3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxopropanamide
CID 139643557
ethyl 3-oxo-3-[(2S)-2-[(2-prop-2-enoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]propanoate
CID 67862358
S-[2-oxo-2-[2-[(2-prop-2-ynoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]ethyl] ethanethioate
CID 57038327
3-[4-hydroxy-3-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one;hydrochloride
CID 70382771
3-[4-hydroxy-3-methoxy-5-(morpholin-4-ylmethyl)phenyl]-1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]prop-2-en-1-one;hydrochloride
CID 70393187
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
2-(2-methoxyphenoxy)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119469956

Frequently Asked Questions

What is the IUPAC name of O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate?
The IUPAC name of O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate (CID 54317297) is O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate.
What is the SMILES notation for O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate?
The canonical SMILES for O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate is COc1ccccc1OC[C@@H]1SCCN1C(=O)COC(C)=S.
What is the InChIKey of O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate?
The InChIKey is SPCWUYIEPIRSGA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-11(21)19-9-14(17)16-7-8-22-15(16)10-20-13-6-4-3-5-12(13)18-2/h3-6,15H,7-10H2,1-2H3/t15-/m0/s1.
What are the key properties of O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate?
O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate has a molecular weight of 341.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-oxoethyl] ethanethioate is sourced from PubChem (CID 54317297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).