[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone

C18H18INO3S — CID 122330377

IUPAC[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C18H18INO3S/c1-22-14-7-8-16(23-2)15(11-14)18-20(9-10-24-18)17(21)12-3-5-13(19)6-4-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyRYNHVSQCVXSFJK-UHFFFAOYSA-N
MW455.32 g/mol
LogP4.20
Rot. Bonds4

About [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone

[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone (PubChem CID 122330377) has the molecular formula C18H18INO3S and a molecular weight of 455.32 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
PubChem CID122330377
Molecular FormulaC18H18INO3S
Molecular Weight455.32 g/mol
Exact Mass455.01
IUPAC Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C18H18INO3S/c1-22-14-7-8-16(23-2)15(11-14)18-20(9-10-24-18)17(21)12-3-5-13(19)6-4-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyRYNHVSQCVXSFJK-UHFFFAOYSA-N
XLogP4.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-indolizin-2-ylmethanone
CID 122330326
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
1-adamantyl-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781031
(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482183
(4-bromophenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330950
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 122330310
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(4-butoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330603

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone (CID 122330377) is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone is COc1ccc(OC)c(C2SCCN2C(=O)c2ccc(I)cc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone?
The InChIKey is RYNHVSQCVXSFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO3S/c1-22-14-7-8-16(23-2)15(11-14)18-20(9-10-24-18)17(21)12-3-5-13(19)6-4-12/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone?
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone has a molecular weight of 455.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone is sourced from PubChem (CID 122330377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).