(2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one

C15H16N2OS2 — CID 129012675

IUPAC(2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)[C@H](C)S[C@H]2c2sccc2C)n1
InChIInChI=1S/C15H16N2OS2/c1-9-7-8-19-13(9)15-17(14(18)11(3)20-15)12-6-4-5-10(2)16-12/h4-8,11,15H,1-3H3/t11-,15-/m0/s1
InChIKeyVJSFYZADEFODGH-NHYWBVRUSA-N
MW304.44 g/mol
LogP3.93
Rot. Bonds2

About (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one

(2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one (PubChem CID 129012675) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
PubChem CID129012675
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name(2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
SMILESCc1cccc(N2C(=O)[C@H](C)S[C@H]2c2sccc2C)n1
InChIInChI=1S/C15H16N2OS2/c1-9-7-8-19-13(9)15-17(14(18)11(3)20-15)12-6-4-5-10(2)16-12/h4-8,11,15H,1-3H3/t11-,15-/m0/s1
InChIKeyVJSFYZADEFODGH-NHYWBVRUSA-N
XLogP3.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one (CID 129012675) is (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one is Cc1cccc(N2C(=O)[C@H](C)S[C@H]2c2sccc2C)n1.
What is the InChIKey of (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is VJSFYZADEFODGH-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-9-7-8-19-13(9)15-17(14(18)11(3)20-15)12-6-4-5-10(2)16-12/h4-8,11,15H,1-3H3/t11-,15-/m0/s1.
What are the key properties of (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one?
(2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 304.44 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-methyl-3-(6-methyl-2-pyridinyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 129012675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).