2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one

C18H26N2OS2 — CID 23877968

IUPAC2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2CCCN2CCCCC2)cc1
InChIInChI=1S/C18H26N2OS2/c1-22-16-8-6-15(7-9-16)18-20(17(21)14-23-18)13-5-12-19-10-3-2-4-11-19/h6-9,18H,2-5,10-14H2,1H3
InChIKeyMLOPFWFUHVMJBX-UHFFFAOYSA-N
MW350.55 g/mol
LogP3.86
Rot. Bonds6

About 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one

2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 23877968) has the molecular formula C18H26N2OS2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID23877968
Molecular FormulaC18H26N2OS2
Molecular Weight350.55 g/mol
Exact Mass350.15
IUPAC Name2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2CCCN2CCCCC2)cc1
InChIInChI=1S/C18H26N2OS2/c1-22-16-8-6-15(7-9-16)18-20(17(21)14-23-18)13-5-12-19-10-3-2-4-11-19/h6-9,18H,2-5,10-14H2,1H3
InChIKeyMLOPFWFUHVMJBX-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide
CID 557617
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
2-phenyl-3-(N,N-dimethylaminopropyl)-1,3-thiazolidin-4-one
CID 126623
3-Methyl-1-[4-(4-methylsulfanyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742527
2-[(4-Methylphenyl)sulfanyl]-1-(pyrrolidin-1-yl)ethanone
CID 875861
1-{3-[(4-Methylphenyl)thio]propanoyl}pyrrolidine
CID 893368
4-Methylphenyl 3-(4-methyl-1-piperidinyl)-3-oxopropyl sulfide
CID 900529
3-[3-(Dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 2872049
2-(2-Fluoro-phenyl)-3-(2-piperidin-1-yl-ethyl)-thiazolidin-4-one
CID 2881472
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-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one (CID 23877968) is 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2CCCN2CCCCC2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is MLOPFWFUHVMJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS2/c1-22-16-8-6-15(7-9-16)18-20(17(21)14-23-18)13-5-12-19-10-3-2-4-11-19/h6-9,18H,2-5,10-14H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one?
2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 350.55 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 23877968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).