3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one

C17H25NO2S — CID 3771055

IUPAC3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1CCCC(C)(C)CO
InChIInChI=1S/C17H25NO2S/c1-13-7-4-5-8-14(13)16-18(15(20)11-21-16)10-6-9-17(2,3)12-19/h4-5,7-8,16,19H,6,9-12H2,1-3H3
InChIKeyUTEIACPJVSQPKI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.37
Rot. Bonds6

About 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one

3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3771055) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID3771055
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1ccccc1C1SCC(=O)N1CCCC(C)(C)CO
InChIInChI=1S/C17H25NO2S/c1-13-7-4-5-8-14(13)16-18(15(20)11-21-16)10-6-9-17(2,3)12-19/h4-5,7-8,16,19H,6,9-12H2,1-3H3
InChIKeyUTEIACPJVSQPKI-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one
CID 3284160
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42795826
3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3724582
3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 3832794
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
2-(2-methylphenyl)-3-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3781993
3-(2-hydroxyethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 5008068
3-fluoro-N-methyl-N-[2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 42814699
N-[2-(dimethylamino)ethyl]-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 24711902
3-(2-hydroxyethyl)-2-(1-methylindol-3-yl)-1,3-thiazolidin-4-one
CID 23995593
3-(3-hydroxy-2,2-dimethylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3371955

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one (CID 3771055) is 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one is Cc1ccccc1C1SCC(=O)N1CCCC(C)(C)CO.
What is the InChIKey of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is UTEIACPJVSQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-13-7-4-5-8-14(13)16-18(15(20)11-21-16)10-6-9-17(2,3)12-19/h4-5,7-8,16,19H,6,9-12H2,1-3H3.
What are the key properties of 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one?
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 307.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3771055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).