2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one

C18H20N2OS — CID 513686

IUPAC2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N2C(=O)CSC2c2c(C)cccc2C)c1
InChIInChI=1S/C18H20N2OS/c1-11-8-14(4)19-15(9-11)20-16(21)10-22-18(20)17-12(2)6-5-7-13(17)3/h5-9,18H,10H2,1-4H3
InChIKeyWVLDISGUESCTNF-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.09
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one

2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one (PubChem CID 513686) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one
PubChem CID513686
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)nc(N2C(=O)CSC2c2c(C)cccc2C)c1
InChIInChI=1S/C18H20N2OS/c1-11-8-14(4)19-15(9-11)20-16(21)10-22-18(20)17-12(2)6-5-7-13(17)3/h5-9,18H,10H2,1-4H3
InChIKeyWVLDISGUESCTNF-UHFFFAOYSA-N
XLogP4.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-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

Related Compounds

2-(3,5-dichloro-4-pyridinyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 57390348
2-(2-fluoro-6-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 513677
2-[2-fluoro-6-(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 44582934
2-(3-chlorophenyl)-3-(3,5-dimethylphenyl)-1,3-thiazolidin-4-one
CID 11842557
2-(2,6-dichlorophenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 16728005
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
2-(2-chloro-6-fluorophenyl)-3-(4-methoxy-6-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 3012196
2-(2,6-dimethoxyphenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
CID 513696
3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 5113911
3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one
CID 13005196
(2R)-2-(3-chlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazolidin-4-one
CID 27879726
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one (CID 513686) is 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one is Cc1cc(C)nc(N2C(=O)CSC2c2c(C)cccc2C)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one?
The InChIKey is WVLDISGUESCTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-11-8-14(4)19-15(9-11)20-16(21)10-22-18(20)17-12(2)6-5-7-13(17)3/h5-9,18H,10H2,1-4H3.
What are the key properties of 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one?
2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one has a molecular weight of 312.44 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-3-(4,6-dimethyl-2-pyridinyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 513686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).