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

C16H21NO4S — CID 122330289

IUPAC[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)C2CCOC2)c1
InChIInChI=1S/C16H21NO4S/c1-19-12-3-4-14(20-2)13(9-12)16-17(6-8-22-16)15(18)11-5-7-21-10-11/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyYJCGQHFAIBRVJB-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.31
Rot. Bonds4

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

[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone (PubChem CID 122330289) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
PubChem CID122330289
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
SMILESCOc1ccc(OC)c(C2SCCN2C(=O)C2CCOC2)c1
InChIInChI=1S/C16H21NO4S/c1-19-12-3-4-14(20-2)13(9-12)16-17(6-8-22-16)15(18)11-5-7-21-10-11/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyYJCGQHFAIBRVJB-UHFFFAOYSA-N
XLogP2.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone 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

1-adamantyl-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781031
1-[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 7262533
[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(oxan-4-yl)methanone
CID 122329907
[(2R)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 7288628
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone
CID 122331065
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-iodophenyl)methanone
CID 122330377
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
3-chloro-1-[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2,2-dimethylpropan-1-one
CID 3422650
(2R)-N-(2,6-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7415606
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7328188
(2R)-2-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7347826

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone (CID 122330289) is [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone is COc1ccc(OC)c(C2SCCN2C(=O)C2CCOC2)c1.
What is the InChIKey of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone?
The InChIKey is YJCGQHFAIBRVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4S/c1-19-12-3-4-14(20-2)13(9-12)16-17(6-8-22-16)15(18)11-5-7-21-10-11/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone?
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone has a molecular weight of 323.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 122330289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).