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

C16H11Cl2NO3S — CID 15605422

IUPAC5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2Oc2ccc(Cl)cc2Cl)S1
InChIInChI=1S/C16H11Cl2NO3S/c17-10-5-6-13(11(18)8-10)22-12-4-2-1-3-9(12)7-14-15(20)19-16(21)23-14/h1-6,8,14H,7H2,(H,19,20,21)
InChIKeyKKAZGLAFIFMBRQ-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.68
Rot. Bonds4

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

5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 15605422) has the molecular formula C16H11Cl2NO3S and a molecular weight of 368.24 g/mol. Its IUPAC name is 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID15605422
Molecular FormulaC16H11Cl2NO3S
Molecular Weight368.24 g/mol
Exact Mass366.98
IUPAC Name5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2Oc2ccc(Cl)cc2Cl)S1
InChIInChI=1S/C16H11Cl2NO3S/c17-10-5-6-13(11(18)8-10)22-12-4-2-1-3-9(12)7-14-15(20)19-16(21)23-14/h1-6,8,14H,7H2,(H,19,20,21)
InChIKeyKKAZGLAFIFMBRQ-UHFFFAOYSA-N
XLogP4.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.68
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

5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 143273850
5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91588688
(5S)-5-[(2-pentoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 142938425
5-(2,4-dichlorophenoxy)-1,3-thiazolidine-2,4-dione
CID 134090754
5-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 13103774
(5R)-5-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 129391217
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
2-[2-(2,4-dichlorophenoxy)phenyl]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 118105355
N-[[2-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283282
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135665703
5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]naphthalen-1-yl]oxypentanoic acid;ethane
CID 142911098

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 15605422) is 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccccc2Oc2ccc(Cl)cc2Cl)S1.
What is the InChIKey of 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is KKAZGLAFIFMBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3S/c17-10-5-6-13(11(18)8-10)22-12-4-2-1-3-9(12)7-14-15(20)19-16(21)23-14/h1-6,8,14H,7H2,(H,19,20,21).
What are the key properties of 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 368.24 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 15605422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).