3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one

C15H21NOS2 — CID 3685976

IUPAC3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1c1ccc(SCC)cc1
InChIInChI=1S/C15H21NOS2/c1-3-5-10-16-14(17)11-19-15(16)12-6-8-13(9-7-12)18-4-2/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyLZECYKLPSZRXPG-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.17
Rot. Bonds6

About 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one

3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3685976) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
PubChem CID3685976
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Name3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
SMILESCCCCN1C(=O)CSC1c1ccc(SCC)cc1
InChIInChI=1S/C15H21NOS2/c1-3-5-10-16-14(17)11-19-15(16)12-6-8-13(9-7-12)18-4-2/h6-9,15H,3-5,10-11H2,1-2H3
InChIKeyLZECYKLPSZRXPG-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-difluorophenyl)methyl]-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 3676191
2-(4-aminophenyl)-3-[3-(butylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 3031975
3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
CID 3718539
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
N-[2-[2-(4-methylsulfanylphenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 3398219
(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-chlorophenyl)-1,3-thiazinan-4-one
CID 3749093
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229
3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936526
3-[(2S)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936521
3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one (CID 3685976) is 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one is CCCCN1C(=O)CSC1c1ccc(SCC)cc1.
What is the InChIKey of 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is LZECYKLPSZRXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-3-5-10-16-14(17)11-19-15(16)12-6-8-13(9-7-12)18-4-2/h6-9,15H,3-5,10-11H2,1-2H3.
What are the key properties of 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one?
3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 295.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(4-ethylsulfanylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3685976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).