3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one

C13H17NOS2 — CID 3687079

IUPAC3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCSCCCN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C13H17NOS2/c1-16-9-5-8-14-12(15)10-17-13(14)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyYDTHSNZIMKRGMU-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.01
Rot. Bonds5

About 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one

3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 3687079) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID3687079
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
SMILESCSCCCN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C13H17NOS2/c1-16-9-5-8-14-12(15)10-17-13(14)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyYDTHSNZIMKRGMU-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
(2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6936035
3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3556568
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetic acid
CID 10847476
3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936526
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
3-[(2S)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936521
2-(4-oxo-2-phenyl-(213C)1,3-thiazolidin-3-yl)acetamide
CID 10705033
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one (CID 3687079) is 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one is CSCCCN1C(=O)CSC1c1ccccc1.
What is the InChIKey of 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is YDTHSNZIMKRGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-16-9-5-8-14-12(15)10-17-13(14)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3.
What are the key properties of 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one?
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 267.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3687079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).