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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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).