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

C20H24N2O2S — CID 3836068

IUPAC3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1cccc(C2SCC(=O)N2Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H24N2O2S/c1-4-24-18-7-5-6-16(12-18)20-22(19(23)14-25-20)13-15-8-10-17(11-9-15)21(2)3/h5-12,20H,4,13-14H2,1-3H3
InChIKeyOZRPQORHVSRKMG-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.93
Rot. Bonds6

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

3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3836068) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3836068
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCOc1cccc(C2SCC(=O)N2Cc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H24N2O2S/c1-4-24-18-7-5-6-16(12-18)20-22(19(23)14-25-20)13-15-8-10-17(11-9-15)21(2)3/h5-12,20H,4,13-14H2,1-3H3
InChIKeyOZRPQORHVSRKMG-UHFFFAOYSA-N
XLogP3.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3860254
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225
2-(3-ethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3789673
2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
2-(4-ethoxyphenyl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3387422
2-(2,4-dimethoxyphenyl)-3-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazolidin-4-one
CID 3594994
3-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3749516
3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 3684457
3-[[4-(dimethylamino)phenyl]methyl]-2-(4,5-dimethylfuran-2-yl)-1,3-thiazolidin-4-one
CID 5003539
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3304214
3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
CID 23740893

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one (CID 3836068) is 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one is CCOc1cccc(C2SCC(=O)N2Cc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is OZRPQORHVSRKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-24-18-7-5-6-16(12-18)20-22(19(23)14-25-20)13-15-8-10-17(11-9-15)21(2)3/h5-12,20H,4,13-14H2,1-3H3.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one?
3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 356.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3836068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).