3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one

C16H19N3OS2 — CID 3865748

IUPAC3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
SMILESCCSCCN1C(=O)CSC1c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H19N3OS2/c1-2-21-9-8-19-14(20)11-22-16(19)13-10-17-15(18-13)12-6-4-3-5-7-12/h3-7,10,16H,2,8-9,11H2,1H3,(H,17,18)
InChIKeyXQETYINFHBMBNJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.40
Rot. Bonds6

About 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one

3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 3865748) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID3865748
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
SMILESCCSCCN1C(=O)CSC1c1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H19N3OS2/c1-2-21-9-8-19-14(20)11-22-16(19)13-10-17-15(18-13)12-6-4-3-5-7-12/h3-7,10,16H,2,8-9,11H2,1H3,(H,17,18)
InChIKeyXQETYINFHBMBNJ-UHFFFAOYSA-N
XLogP3.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenyl-1H-imidazol-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3407213
3-[2-(4-methoxyphenoxy)ethyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3866351
2-(2-phenyl-1H-imidazol-5-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 23825502
3-[(2,6-difluorophenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3865741
3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 5183846
4-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]benzonitrile
CID 3308500
methyl 3-[4-oxo-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazinan-3-yl]propanoate
CID 3747714
2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one
CID 3807342
3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3872207
methyl 3-[3-(2-ethylsulfanylethyl)-4-oxo-1,3-thiazolidin-2-yl]-1H-indole-6-carboxylate
CID 3869284
3-(3-methylsulfanylpropyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3687079
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one (CID 3865748) is 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one is CCSCCN1C(=O)CSC1c1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is XQETYINFHBMBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c1-2-21-9-8-19-14(20)11-22-16(19)13-10-17-15(18-13)12-6-4-3-5-7-12/h3-7,10,16H,2,8-9,11H2,1H3,(H,17,18).
What are the key properties of 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 333.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3865748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).