2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one

C17H25NO3S — CID 10496167

IUPAC2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C2SCC(=O)N2CCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H25NO3S/c1-11-8-12(9-13(15(11)21)17(2,3)4)16-18(6-5-7-19)14(20)10-22-16/h8-9,16,19,21H,5-7,10H2,1-4H3
InChIKeyOZUWLLODRRIIBO-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.95
Rot. Bonds4

About 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one

2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one (PubChem CID 10496167) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
PubChem CID10496167
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C2SCC(=O)N2CCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H25NO3S/c1-11-8-12(9-13(15(11)21)17(2,3)4)16-18(6-5-7-19)14(20)10-22-16/h8-9,16,19,21H,5-7,10H2,1-4H3
InChIKeyOZUWLLODRRIIBO-UHFFFAOYSA-N
XLogP2.95
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-chloropropyl)-1,3-thiazolidin-4-one
CID 10664972
2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 4018828
2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-[3-(methylamino)propyl]-1,3-thiazolidin-4-one;hydrobromide
CID 19600894
3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 10663999
3-[4-[2-(3H-1,2-benzodioxol-6-yloxy)ethyl-methylamino]butyl]-2-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one
CID 19600869
3-(5-hydroxy-4,4-dimethylpentyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3724582
2-(4,5-dimethylfuran-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)-1,3-thiazolidin-4-one
CID 3284160
2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(3-hydroxypropyl)-5-methyl-1,3-thiazolidine-4-carbaldehyde
CID 174396726
3-(5-hydroxy-4,4-dimethylpentyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3771055
2-(3,5-dimethoxyphenyl)-3-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazolidin-4-one
CID 3358569
ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate
CID 3867156
3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one (CID 10496167) is 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one is Cc1cc(C2SCC(=O)N2CCCO)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is OZUWLLODRRIIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-11-8-12(9-13(15(11)21)17(2,3)4)16-18(6-5-7-19)14(20)10-22-16/h8-9,16,19,21H,5-7,10H2,1-4H3.
What are the key properties of 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one?
2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 323.46 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10496167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).