3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one

C16H22ClNO2S — CID 10663999

IUPAC3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCCc1cc(C2SCC(=O)N2CCCCl)cc(CC)c1O
InChIInChI=1S/C16H22ClNO2S/c1-3-11-8-13(9-12(4-2)15(11)20)16-18(7-5-6-17)14(19)10-21-16/h8-9,16,20H,3-7,10H2,1-2H3
InChIKeyQKRMIOOUEHCDDP-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.72
Rot. Bonds6

About 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one

3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 10663999) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one
PubChem CID10663999
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC Name3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one
SMILESCCc1cc(C2SCC(=O)N2CCCCl)cc(CC)c1O
InChIInChI=1S/C16H22ClNO2S/c1-3-11-8-13(9-12(4-2)15(11)20)16-18(7-5-6-17)14(19)10-21-16/h8-9,16,20H,3-7,10H2,1-2H3
InChIKeyQKRMIOOUEHCDDP-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-hydroxypropyl)-1,3-thiazolidin-4-one
CID 10496167
ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3290194
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate
CID 3867156
3-(3-propoxypropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3852808
3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23794155
(2S)-2-(4-chlorophenyl)-3-[2-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 1207971
3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3685976
3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936520

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one (CID 10663999) is 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one is CCc1cc(C2SCC(=O)N2CCCCl)cc(CC)c1O.
What is the InChIKey of 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is QKRMIOOUEHCDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c1-3-11-8-13(9-12(4-2)15(11)20)16-18(7-5-6-17)14(19)10-21-16/h8-9,16,20H,3-7,10H2,1-2H3.
What are the key properties of 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one?
3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 327.88 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-2-(3,5-diethyl-4-hydroxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10663999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).