2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

C22H29NO2S — CID 122331404

IUPAC2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1ccc(C2SCCN2C(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H29NO2S/c1-25-19-4-2-18(3-5-19)21-23(6-7-26-21)20(24)14-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17,21H,6-14H2,1H3
InChIKeyCKPBREZUIFELOF-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.88
Rot. Bonds4

About 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone

2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 122331404) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID122331404
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCOc1ccc(C2SCCN2C(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H29NO2S/c1-25-19-4-2-18(3-5-19)21-23(6-7-26-21)20(24)14-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17,21H,6-14H2,1H3
InChIKeyCKPBREZUIFELOF-UHFFFAOYSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone 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-(4-methoxyphenyl)-1-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)ethanone
CID 5079864
1-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 122345649
3-(3-chloro-4-fluorophenyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122331472
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4047781
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
(2S)-3-(1-adamantylmethyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 7072882
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
1-[(2R)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 1024512
1-[(2R)-2-(3-fluorophenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7218707
1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7415161
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122331438

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone (CID 122331404) is 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is COc1ccc(C2SCCN2C(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is CKPBREZUIFELOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-25-19-4-2-18(3-5-19)21-23(6-7-26-21)20(24)14-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17,21H,6-14H2,1H3.
What are the key properties of 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone?
2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 371.55 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 122331404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).