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

C16H15NOS2 — CID 5080347

IUPAC2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H15NOS2/c1-19-14-9-7-12(8-10-14)16-17(15(18)11-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyJMRMWJOGPJSMAU-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.19
Rot. Bonds3

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

2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 5080347) has the molecular formula C16H15NOS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID5080347
Molecular FormulaC16H15NOS2
Molecular Weight301.44 g/mol
Exact Mass301.06
IUPAC Name2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one
SMILESCSc1ccc(C2SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H15NOS2/c1-19-14-9-7-12(8-10-14)16-17(15(18)11-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyJMRMWJOGPJSMAU-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
2-(4-methylsulfanylphenyl)-3-pyridin-2-yl-1,3-thiazolidin-4-one
CID 134131493
3-(3,4-dichlorophenyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 4194179
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 95402321
3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 53497781
N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]propanamide
CID 42804052
(2R)-3-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazolidin-4-one
CID 1274265
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 741588
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one (CID 5080347) is 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one is CSc1ccc(C2SCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is JMRMWJOGPJSMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS2/c1-19-14-9-7-12(8-10-14)16-17(15(18)11-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one?
2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 301.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5080347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).