3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one

C21H26N2OS — CID 3684457

IUPAC3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C2SCC(=O)N2Cc2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C21H26N2OS/c1-14-10-15(2)20(16(3)11-14)21-23(19(24)13-25-21)12-17-6-8-18(9-7-17)22(4)5/h6-11,21H,12-13H2,1-5H3
InChIKeyRLELRXBIVFMFKX-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.45
Rot. Bonds4

About 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one

3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one (PubChem CID 3684457) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
PubChem CID3684457
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cc(C)c(C2SCC(=O)N2Cc2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C21H26N2OS/c1-14-10-15(2)20(16(3)11-14)21-23(19(24)13-25-21)12-17-6-8-18(9-7-17)22(4)5/h6-11,21H,12-13H2,1-5H3
InChIKeyRLELRXBIVFMFKX-UHFFFAOYSA-N
XLogP4.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one (CID 3684457) is 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one is Cc1cc(C)c(C2SCC(=O)N2Cc2ccc(N(C)C)cc2)c(C)c1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is RLELRXBIVFMFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-14-10-15(2)20(16(3)11-14)21-23(19(24)13-25-21)12-17-6-8-18(9-7-17)22(4)5/h6-11,21H,12-13H2,1-5H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one?
3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 354.52 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3684457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).