5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione

C16H13NO3S — CID 170182440

IUPAC5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cccc(COc3ccccc3)c2)S1
InChIInChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)12-6-4-5-11(9-12)10-20-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,17,18,19)
InChIKeyDJRCCZJATOJHFE-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.29
Rot. Bonds4

About 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione

5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione (PubChem CID 170182440) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione
PubChem CID170182440
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Name5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cccc(COc3ccccc3)c2)S1
InChIInChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)12-6-4-5-11(9-12)10-20-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,17,18,19)
InChIKeyDJRCCZJATOJHFE-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione 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

5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione
CID 155154228
5-[3-(phenoxymethyl)phenyl]pyrrolidine-2,4-dione
CID 170182433
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
5-[3-[5-[4-(4-methoxyphenoxy)-2-propylphenoxy]pentyl]phenyl]-1,3-thiazolidine-2,4-dione
CID 22458901
(5R,6S)-5-benzoyl-4-methylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 2427856
5-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 132648826
phenoxymethylbenzene;sulfuric acid
CID 68982967
5-[[4-[5-[3-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416604
(4R)-2-oxo-N-[[3-(phenoxymethyl)phenyl]methyl]imidazolidine-4-carboxamide
CID 97082817
(5S)-5-[[4-[2-[(5-phenylmethoxy-2-pyridinyl)methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 98005992
3-(3-phenylmethoxyphenyl)cyclohexan-1-one
CID 18955612
(3S,6R)-3-benzyl-6-[(4-phenylmethoxyphenyl)methyl]piperazine-2,5-dione
CID 155535405

Frequently Asked Questions

What is the IUPAC name of 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione (CID 170182440) is 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(c2cccc(COc3ccccc3)c2)S1.
What is the InChIKey of 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is DJRCCZJATOJHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c18-15-14(21-16(19)17-15)12-6-4-5-11(9-12)10-20-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,17,18,19).
What are the key properties of 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione?
5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 299.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 170182440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).