3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one

C20H19N3O3S2 — CID 5183846

IUPAC3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(CN2C(=O)CSC2c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C20H19N3O3S2/c1-28(25,26)16-9-7-14(8-10-16)12-23-18(24)13-27-20(23)17-11-21-19(22-17)15-5-3-2-4-6-15/h2-11,20H,12-13H2,1H3,(H,21,22)
InChIKeyVTVMWKGTSSQEDE-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.25
Rot. Bonds5

About 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one

3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 5183846) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
PubChem CID5183846
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(CN2C(=O)CSC2c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C20H19N3O3S2/c1-28(25,26)16-9-7-14(8-10-16)12-23-18(24)13-27-20(23)17-11-21-19(22-17)15-5-3-2-4-6-15/h2-11,20H,12-13H2,1H3,(H,21,22)
InChIKeyVTVMWKGTSSQEDE-UHFFFAOYSA-N
XLogP3.25
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3810429
3-(2-ethylsulfanylethyl)-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one
CID 3865748
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
methyl 3-[4-oxo-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazinan-3-yl]propanoate
CID 3747714
(2S)-3-benzyl-2-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 674166
(2R)-3-benzyl-2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazolidin-4-one
CID 982381
5-methylsulfonyl-2-phenyl-1H-imidazole
CID 67647458
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one (CID 5183846) is 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(CN2C(=O)CSC2c2cnc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is VTVMWKGTSSQEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-28(25,26)16-9-7-14(8-10-16)12-23-18(24)13-27-20(23)17-11-21-19(22-17)15-5-3-2-4-6-15/h2-11,20H,12-13H2,1H3,(H,21,22).
What are the key properties of 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one?
3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 413.52 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfonylphenyl)methyl]-2-(2-phenyl-1H-imidazol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5183846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).