5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione

C17H14ClNO3S — CID 155154228

IUPAC5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(Cl)ccc1OCc1cccc(C2SC(=O)NC2=O)c1
InChIInChI=1S/C17H14ClNO3S/c1-10-7-13(18)5-6-14(10)22-9-11-3-2-4-12(8-11)15-16(20)19-17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20,21)
InChIKeyGPDKUMIBMIGBEI-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.25
Rot. Bonds4

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

5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione (PubChem CID 155154228) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione
PubChem CID155154228
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(Cl)ccc1OCc1cccc(C2SC(=O)NC2=O)c1
InChIInChI=1S/C17H14ClNO3S/c1-10-7-13(18)5-6-14(10)22-9-11-3-2-4-12(8-11)15-16(20)19-17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20,21)
InChIKeyGPDKUMIBMIGBEI-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-[(4-chloro-2-methylphenoxy)methyl]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-(phenoxymethyl)phenyl]-1,3-thiazolidine-2,4-dione
CID 170182440
5-[(4-chloro-2-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339281
4-[(4-chloro-2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63885169
N-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-methylbenzenesulfonamide
CID 155154126
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626
2-[2-[[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168621020
(4R)-4-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 136807749
[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19323630
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 19288491
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19294630
[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione (CID 155154228) is 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione is Cc1cc(Cl)ccc1OCc1cccc(C2SC(=O)NC2=O)c1.
What is the InChIKey of 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GPDKUMIBMIGBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c1-10-7-13(18)5-6-14(10)22-9-11-3-2-4-12(8-11)15-16(20)19-17(21)23-15/h2-8,15H,9H2,1H3,(H,19,20,21).
What are the key properties of 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione?
5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 347.82 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-chloro-2-methylphenoxy)methyl]phenyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 155154228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).