3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one

C24H32N2O3S — CID 4987041

IUPAC3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CC(C)(C)CN(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-24(2,16-25(3)4)17-26-22(27)15-30-23(26)19-11-12-20(21(13-19)28-5)29-14-18-9-7-6-8-10-18/h6-13,23H,14-17H2,1-5H3
InChIKeyHKUHHOVUJWZVDZ-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.44
Rot. Bonds9

About 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one

3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4987041) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4987041
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2SCC(=O)N2CC(C)(C)CN(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C24H32N2O3S/c1-24(2,16-25(3)4)17-26-22(27)15-30-23(26)19-11-12-20(21(13-19)28-5)29-14-18-9-7-6-8-10-18/h6-13,23H,14-17H2,1-5H3
InChIKeyHKUHHOVUJWZVDZ-UHFFFAOYSA-N
XLogP4.44
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3769250
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-phenyl-1,3-thiazolidin-4-one
CID 23822954
3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3813482
2-(3-methoxy-4-phenylmethoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
CID 23848088
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3864814
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
benzyl 2-[[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3321472
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574
3-(3,3-dimethylbutanoyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42729292
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one (CID 4987041) is 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2SCC(=O)N2CC(C)(C)CN(C)C)ccc1OCc1ccccc1.
What is the InChIKey of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is HKUHHOVUJWZVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-24(2,16-25(3)4)17-26-22(27)15-30-23(26)19-11-12-20(21(13-19)28-5)29-14-18-9-7-6-8-10-18/h6-13,23H,14-17H2,1-5H3.
What are the key properties of 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one?
3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 428.60 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4987041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).