5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione

C17H16N2O2S — CID 173159827

IUPAC5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN(c1ccccc1)c1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-19(13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-15-16(20)18-17(21)22-15/h2-10,15H,11H2,1H3,(H,18,20,21)
InChIKeyMTQMKMANEAVOKH-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.35
Rot. Bonds4

About 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 173159827) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID173159827
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCN(c1ccccc1)c1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C17H16N2O2S/c1-19(13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-15-16(20)18-17(21)22-15/h2-10,15H,11H2,1H3,(H,18,20,21)
InChIKeyMTQMKMANEAVOKH-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide
CID 10159792
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylbenzamide
CID 86749175
[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-phenylcarbamic acid
CID 22341418
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 11403417
[4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenyl] acetate
CID 6976399
CID 171990495
CID 171990495
5-[[4-[3-(5-methyl-5-phenyl-2H-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139716006
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
sodium;hydride;2-phenylethyl N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylcarbamate
CID 173361637
5-[[4-(3,3-dimethylbutyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 54157642
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 15751813

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 173159827) is 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione is CN(c1ccccc1)c1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is MTQMKMANEAVOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-19(13-5-3-2-4-6-13)14-9-7-12(8-10-14)11-15-16(20)18-17(21)22-15/h2-10,15H,11H2,1H3,(H,18,20,21).
What are the key properties of 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 312.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 173159827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).