3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C16H14INO2S — CID 17384306

IUPAC3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccc(I)cc2)cc1
InChIInChI=1S/C16H14INO2S/c1-20-14-8-2-11(3-9-14)16-18(15(19)10-21-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3
InChIKeyUYPWBWLCVKMYNS-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.08
Rot. Bonds3

About 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one

3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 17384306) has the molecular formula C16H14INO2S and a molecular weight of 411.26 g/mol. Its IUPAC name is 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID17384306
Molecular FormulaC16H14INO2S
Molecular Weight411.26 g/mol
Exact Mass410.98
IUPAC Name3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccc(I)cc2)cc1
InChIInChI=1S/C16H14INO2S/c1-20-14-8-2-11(3-9-14)16-18(15(19)10-21-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3
InChIKeyUYPWBWLCVKMYNS-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 6935158
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 3861297
4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125434
N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2,2-dimethylpropanamide
CID 42804701
3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116
4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804733
3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125382

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 17384306) is 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2ccc(I)cc2)cc1.
What is the InChIKey of 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is UYPWBWLCVKMYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO2S/c1-20-14-8-2-11(3-9-14)16-18(15(19)10-21-16)13-6-4-12(17)5-7-13/h2-9,16H,10H2,1H3.
What are the key properties of 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 411.26 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 17384306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).