[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate

C24H21NO4S — CID 10409832

IUPAC[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
SMILESCOc1cc(C2SCCN2C(=O)c2ccccc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C24H21NO4S/c1-28-21-16-19(12-13-20(21)29-24(27)18-10-6-3-7-11-18)23-25(14-15-30-23)22(26)17-8-4-2-5-9-17/h2-13,16,23H,14-15H2,1H3
InChIKeyXIBYONLQKXYWKS-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.80
Rot. Bonds5

About [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate

[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate (PubChem CID 10409832) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate.

Molecular Properties

Compound Name[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
PubChem CID10409832
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC Name[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
SMILESCOc1cc(C2SCCN2C(=O)c2ccccc2)ccc1OC(=O)c1ccccc1
InChIInChI=1S/C24H21NO4S/c1-28-21-16-19(12-13-20(21)29-24(27)18-10-6-3-7-11-18)23-25(14-15-30-23)22(26)17-8-4-2-5-9-17/h2-13,16,23H,14-15H2,1H3
InChIKeyXIBYONLQKXYWKS-UHFFFAOYSA-N
XLogP4.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate 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

[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-iodophenyl)methanone
CID 122345806
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 122345751
(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 93115004
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122345781
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-pentoxyphenyl)methanone
CID 122345724
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-phenyltriazol-4-yl)methanone
CID 122345690
2-[(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 36687936
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxypropan-1-one
CID 122345651
[2-(difluoromethylsulfanyl)phenyl]-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122345707
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 815703

Frequently Asked Questions

What is the IUPAC name of [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate?
The IUPAC name of [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate (CID 10409832) is [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate.
What is the SMILES notation for [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate?
The canonical SMILES for [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate is COc1cc(C2SCCN2C(=O)c2ccccc2)ccc1OC(=O)c1ccccc1.
What is the InChIKey of [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate?
The InChIKey is XIBYONLQKXYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4S/c1-28-21-16-19(12-13-20(21)29-24(27)18-10-6-3-7-11-18)23-25(14-15-30-23)22(26)17-8-4-2-5-9-17/h2-13,16,23H,14-15H2,1H3.
What are the key properties of [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate?
[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate has a molecular weight of 419.50 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate is sourced from PubChem (CID 10409832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).