3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one

C15H20ClNOS2 — CID 3447829

IUPAC3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)SCCN1C(=O)CSC1c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNOS2/c1-15(2,3)20-8-7-17-13(18)10-19-14(17)11-5-4-6-12(16)9-11/h4-6,9,14H,7-8,10H2,1-3H3
InChIKeyJGSDISSMYOKJFQ-UHFFFAOYSA-N
MW329.92 g/mol
LogP4.45
Rot. Bonds4

About 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one

3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 3447829) has the molecular formula C15H20ClNOS2 and a molecular weight of 329.92 g/mol. Its IUPAC name is 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one
PubChem CID3447829
Molecular FormulaC15H20ClNOS2
Molecular Weight329.92 g/mol
Exact Mass329.07
IUPAC Name3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one
SMILESCC(C)(C)SCCN1C(=O)CSC1c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNOS2/c1-15(2,3)20-8-7-17-13(18)10-19-14(17)11-5-4-6-12(16)9-11/h4-6,9,14H,7-8,10H2,1-3H3
InChIKeyJGSDISSMYOKJFQ-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.92
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(2-tert-butylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]benzoate
CID 3743052
2-(3-chlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]-1,3-thiazolidin-4-one
CID 23763044
3-(2-tert-butylsulfanylethyl)-2-[5-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 3858491
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
(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
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795811
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
2-(3-chlorophenyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 11842533
(2R)-2-(3-methylphenyl)-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 93072504
(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one
CID 27879726
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one (CID 3447829) is 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one is CC(C)(C)SCCN1C(=O)CSC1c1cccc(Cl)c1.
What is the InChIKey of 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is JGSDISSMYOKJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS2/c1-15(2,3)20-8-7-17-13(18)10-19-14(17)11-5-4-6-12(16)9-11/h4-6,9,14H,7-8,10H2,1-3H3.
What are the key properties of 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one?
3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 329.92 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylsulfanylethyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3447829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).