(6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C20H24N2O5S — CID 122330849

IUPAC(6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cn1
InChIInChI=1S/C20H24N2O5S/c1-5-27-18-7-6-13(12-21-18)19(23)22-8-9-28-20(22)14-10-16(25-3)17(26-4)11-15(14)24-2/h6-7,10-12,20H,5,8-9H2,1-4H3
InChIKeyXSWRKLLZCWATNJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.39
Rot. Bonds7

About (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

(6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 122330849) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID122330849
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name(6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cn1
InChIInChI=1S/C20H24N2O5S/c1-5-27-18-7-6-13(12-21-18)19(23)22-8-9-28-20(22)14-10-16(25-3)17(26-4)11-15(14)24-2/h6-7,10-12,20H,5,8-9H2,1-4H3
InChIKeyXSWRKLLZCWATNJ-UHFFFAOYSA-N
XLogP3.39
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,4-dimethoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330579
(4-ethylphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330609
(4-butoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330603
(5-bromo-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330727
(4-bromophenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330950
1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330557
isoquinolin-1-yl-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330792
[3-(trifluoromethyl)phenyl]-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330593
3-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 122330771
(5-methyl-1,2-oxazol-3-yl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330764
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 122330561

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 122330849) is (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is CCOc1ccc(C(=O)N2CCSC2c2cc(OC)c(OC)cc2OC)cn1.
What is the InChIKey of (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is XSWRKLLZCWATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-5-27-18-7-6-13(12-21-18)19(23)22-8-9-28-20(22)14-10-16(25-3)17(26-4)11-15(14)24-2/h6-7,10-12,20H,5,8-9H2,1-4H3.
What are the key properties of (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 404.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-3-pyridinyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 122330849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).